N1-[2-[2-[(1-methylindol-2-yl)carbonylamino]ethylamino]ethyl]-5-[4-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N3-[2-[2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethylamino]ethyl]benzene-1,3-dicarboxamide

Systemtic Name: N1-[2-[2-[(1-methylindol-2-yl)carbonylamino]ethylamino]ethyl]-5-[4-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N3-[2-[2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethylamino]ethyl]benzene-1,3-dicarboxamide Openeye Name: N1-[2-[2-[(1-methylindole-2-carbonyl)amino]ethylamino]ethyl]-5-(4-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-N3-[2-[2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethylamino]ethyl]benzene-1,3-dicarboxamide CAS Name: N1-[2-[2-[[(1-methyl-2-indolyl)-oxomethyl]amino]ethylamino]ethyl]-5-(4-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-N3-[2-[2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)ethylamino]ethyl]benzene-1,3-dicarboxamide IUPAC Name: 1-N-[2-[2-[(1-methylindole-2-carbonyl)amino]ethylamino]ethyl]-5-(4-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-3-N-[2-[2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]ethyl]benzene-1,3-dicarboxamide Traditional Name: 5-(1,3-diketo-4-nitro-benzo[de]isoquinolin-2-yl)-N'-[2-[2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)ethylamino]ethyl]-N-[2-[2-[(1-methylindole-2-carbonyl)amino]ethylamino]ethyl]isophthalamide Formula: C50H42N10O11 MolecularWeight: 958.92888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NCCNCCNC(=O)C3=CC(=CC(=C3)C(=O)NCCNCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])N7C(=O)C8=CC=CC9=C8C(=C(C=C9)[N+](=O)[O-])C7=O

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NCCNCCNC(=O)C3=CC(=CC(=C3)C(=O)NCCNCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])N7C(=O)C8=CC=CC9=C8C(=C(C=C9)[N+](=O)[O-])C7=O

InChI

InChI=1S/C50H42N10O11/c1-56-38-11-3-2-6-29(38)26-40(56)46(63)55-19-15-51-14-17-53-44(61)31-22-32(25-33(24-31)58-49(66)36-10-4-7-28-12-13-39(60(70)71)43(42(28)36)50(58)67)45(62)54-18-16-52-20-21-57-47(64)35-9-5-8-30-23-34(59(68)69)27-37(41(30)35)48(57)65/h2-13,22-27,51-52H,14-21H2,1H3,(H,53,61)(H,54,62)(H,55,63)