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

Systemtic Name: (7-bromanyl-1-methyl-2-phenyl-indol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: (7-bromo-1-methyl-2-phenyl-indol-3-yl)-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone CAS Name: (7-bromo-1-methyl-2-phenyl-3-indolyl)-[4-(5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (7-bromo-1-methyl-2-phenylindol-3-yl)-[4-(5-nitropyridin-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: (7-bromo-1-methyl-2-phenyl-indol-3-yl)-[4-(5-nitro-2-pyridyl)-1,4-diazepan-1-yl]methanone Formula: C26H24BrN5O3 MolecularWeight: 534.40446

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C1C(=CC=C2)Br)C(=O)N3CCCN(CC3)C4=NC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CN1C(=C(C2=C1C(=CC=C2)Br)C(=O)N3CCCN(CC3)C4=NC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H24BrN5O3/c1-29-24(18-7-3-2-4-8-18)23(20-9-5-10-21(27)25(20)29)26(33)31-14-6-13-30(15-16-31)22-12-11-19(17-28-22)32(34)35/h2-5,7-12,17H,6,13-16H2,1H3