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

Systemtic Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(3-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(3-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: (1,5-dimethyl-2-phenyl-3-indolyl)-[4-(3-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1,5-dimethyl-2-phenylindol-3-yl)-[4-(3-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(3-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-])C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)C4=C(C=CC=N4)[N+](=O)[O-])C5=CC=CC=C5)C

InChI

InChI=1S/C27H27N5O3/c1-19-11-12-22-21(18-19)24(25(29(22)2)20-8-4-3-5-9-20)27(33)31-15-7-14-30(16-17-31)26-23(32(34)35)10-6-13-28-26/h3-6,8-13,18H,7,14-17H2,1-2H3