2-[5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid

Systemtic Name: 2-[5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]ethanoic acid Openeye Name: 2-[5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-oxo-ethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid CAS Name: 2-[5-[2-[4-[3-(dimethylamino)propyl]-1-piperazinyl]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid IUPAC Name: 2-[5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-oxoethyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl]acetic acid Traditional Name: 2-[5-[2-[4-[3-(dimethylamino)propyl]piperazino]-2-keto-ethyl]-6-keto-11H-benzo[c][1]benzazepin-11-yl]acetic acid Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(C4=CC=CC=C4C2=O)CC(=O)O

Isomeric SMILES

CN(C)CCCN1CCN(CC1)C(=O)CN2C3=CC=CC=C3C(C4=CC=CC=C4C2=O)CC(=O)O

InChI

InChI=1S/C27H34N4O4/c1-28(2)12-7-13-29-14-16-30(17-15-29)25(32)19-31-24-11-6-5-9-21(24)23(18-26(33)34)20-8-3-4-10-22(20)27(31)35/h3-6,8-11,23H,7,12-19H2,1-2H3,(H,33,34)