(1-methyl-2-phenyl-indol-3-yl)-(4-pyridin-3-yl-1,4-diazepan-1-yl)methanone hydrochloride

Systemtic Name: (1-methyl-2-phenyl-indol-3-yl)-(4-pyridin-3-yl-1,4-diazepan-1-yl)methanone hydrochloride Openeye Name: (1-methyl-2-phenyl-indol-3-yl)-[4-(3-pyridyl)-1,4-diazepan-1-yl]methanone hydrochloride CAS Name: (1-methyl-2-phenyl-3-indolyl)-[4-(3-pyridinyl)-1,4-diazepan-1-yl]methanone hydrochloride IUPAC Name: (1-methyl-2-phenylindol-3-yl)-(4-pyridin-3-yl-1,4-diazepan-1-yl)methanone hydrochloride Traditional Name: (1-methyl-2-phenyl-indol-3-yl)-[4-(3-pyridyl)-1,4-diazepan-1-yl]methanone hydrochloride Formula: C26H27ClN4O MolecularWeight: 446.97178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)N4CCCN(CC4)C5=CN=CC=C5.Cl

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)N4CCCN(CC4)C5=CN=CC=C5.Cl

InChI

InChI=1S/C26H26N4O.ClH/c1-28-23-13-6-5-12-22(23)24(25(28)20-9-3-2-4-10-20)26(31)30-16-8-15-29(17-18-30)21-11-7-14-27-19-21;/h2-7,9-14,19H,8,15-18H2,1H3;1H