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

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

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CN=CC=C3)C(=O)N4CCCN(CC4)C5=NC=C(C=C5)[N+](=O)[O-]

InChI

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