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

Systemtic Name: 1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-3-piperidin-1-yl-propan-1-one dihydrochloride Openeye Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-piperidyl)propan-1-one dihydrochloride CAS Name: 1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-3-(1-piperidinyl)-1-propanone dihydrochloride IUPAC Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-piperidin-1-ylpropan-1-one dihydrochloride Traditional Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-piperidino-propan-1-one dihydrochloride Formula: C25H34Cl2N2O MolecularWeight: 449.45626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O.2ClH/c28-25(13-18-26-14-5-2-6-15-26)24-10-9-22-11-16-27(17-12-23(22)19-24)20-21-7-3-1-4-8-21;;/h1,3-4,7-10,19H,2,5-6,11-18,20H2;2*1H