(1,6-dimethyl-2-phenyl-indol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (1,6-dimethyl-2-phenyl-indol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (1,6-dimethyl-2-phenyl-indol-3-yl)-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: (1,6-dimethyl-2-phenyl-3-indolyl)-[4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1,6-dimethyl-2-phenylindol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (1,6-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)C(=C(N2C)C3=CC=CC=C3)C(=O)N4CCCN(CC4)C5=NC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2C)C3=CC=CC=C3)C(=O)N4CCCN(CC4)C5=NC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O3/c1-19-9-11-22-23(17-19)29(2)26(20-7-4-3-5-8-20)25(22)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