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

Systemtic Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: (1,5-dimethyl-2-phenyl-3-indolyl)-[4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1,5-dimethyl-2-phenylindol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (1,5-dimethyl-2-phenyl-indol-3-yl)-[4-(5-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=NC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)C

Isomeric SMILES

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

InChI

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