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

Systemtic Name: (1-methyl-2-pyridin-2-yl-indol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: [1-methyl-2-(2-pyridyl)indol-3-yl]-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: [1-methyl-2-(2-pyridinyl)-3-indolyl]-[4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1-methyl-2-pyridin-2-ylindol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: [1-methyl-2-(2-pyridyl)indol-3-yl]-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=N3)C(=O)N4CCCN(CC4)C5=NC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=N3)C(=O)N4CCCN(CC4)C5=NC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O3/c1-28-21-9-3-2-7-19(21)23(24(28)20-8-4-5-12-26-20)25(32)30-14-6-13-29(15-16-30)22-11-10-18(17-27-22)31(33)34/h2-5,7-12,17H,6,13-16H2,1H3