(7-methoxy-1-methyl-2-phenyl-indol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (7-methoxy-1-methyl-2-phenyl-indol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (7-methoxy-1-methyl-2-phenyl-indol-3-yl)-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: (7-methoxy-1-methyl-2-phenyl-3-indolyl)-[4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (7-methoxy-1-methyl-2-phenylindol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (7-methoxy-1-methyl-2-phenyl-indol-3-yl)-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1C(=CC=C2)OC)C(=O)N3CCCN(CC3)C4=NC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CN1C(=C(C2=C1C(=CC=C2)OC)C(=O)N3CCCN(CC3)C4=NC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O4/c1-29-25(19-8-4-3-5-9-19)24(21-10-6-11-22(36-2)26(21)29)27(33)31-15-7-14-30(16-17-31)23-13-12-20(18-28-23)32(34)35/h3-6,8-13,18H,7,14-17H2,1-2H3