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

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

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)N4CCCN(CC4)C5=NC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)N4CCCN(CC4)C5=NC=C(C=C5)[N+](=O)[O-]

InChI

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