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

Systemtic Name: (1-methyl-2-phenyl-indol-3-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone dihydrochloride Openeye Name: (1-methyl-2-phenyl-indol-3-yl)-[4-(2-pyridyl)-1,4-diazepan-1-yl]methanone dihydrochloride CAS Name: (1-methyl-2-phenyl-3-indolyl)-[4-(2-pyridinyl)-1,4-diazepan-1-yl]methanone dihydrochloride IUPAC Name: (1-methyl-2-phenylindol-3-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone dihydrochloride Traditional Name: (1-methyl-2-phenyl-indol-3-yl)-[4-(2-pyridyl)-1,4-diazepan-1-yl]methanone dihydrochloride Formula: C26H28Cl2N4O MolecularWeight: 483.43272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)N4CCCN(CC4)C5=CC=CC=N5.Cl.Cl

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)N4CCCN(CC4)C5=CC=CC=N5.Cl.Cl

InChI

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