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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2.Cl.Cl

Isomeric SMILES

C1CNCCC1CCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2.Cl.Cl

InChI

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