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

Systemtic Name: 1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-4-piperidin-1-yl-butan-1-one dihydrochloride Openeye Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-(1-piperidyl)butan-1-one dihydrochloride CAS Name: 1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-4-(1-piperidinyl)-1-butanone dihydrochloride IUPAC Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-piperidin-1-ylbutan-1-one dihydrochloride Traditional Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-piperidino-butan-1-one dihydrochloride Formula: C26H36Cl2N2O MolecularWeight: 463.48284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CCCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2.Cl.Cl

InChI

InChI=1S/C26H34N2O.2ClH/c29-26(10-7-17-27-15-5-2-6-16-27)25-12-11-23-13-18-28(19-14-24(23)20-25)21-22-8-3-1-4-9-22;;/h1,3-4,8-9,11-12,20H,2,5-7,10,13-19,21H2;2*1H