4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]butan-1-one dihydrochloride

Systemtic Name: 4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]butan-1-one dihydrochloride Openeye Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[1-[(3-methoxyphenyl)methyl]-4-piperidyl]butan-1-one dihydrochloride CAS Name: 4-[1-[(3-methoxyphenyl)methyl]-4-piperidinyl]-1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1-butanone dihydrochloride IUPAC Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]butan-1-one dihydrochloride Traditional Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(1-m-anisyl-4-piperidyl)butan-1-one dihydrochloride Formula: C34H44Cl2N2O2 MolecularWeight: 583.63136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCC(CC2)CCCC(=O)C3=CC4=C(CCN(CC4)CC5=CC=CC=C5)C=C3.Cl.Cl

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCC(CC2)CCCC(=O)C3=CC4=C(CCN(CC4)CC5=CC=CC=C5)C=C3.Cl.Cl

InChI

InChI=1S/C34H42N2O2.2ClH/c1-38-33-11-5-10-29(23-33)26-35-19-15-27(16-20-35)9-6-12-34(37)32-14-13-30-17-21-36(22-18-31(30)24-32)25-28-7-3-2-4-8-28;;/h2-5,7-8,10-11,13-14,23-24,27H,6,9,12,15-22,25-26H2,1H3;2*1H