3-piperidin-4-yl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)propan-1-one dihydrochloride

Systemtic Name: 3-piperidin-4-yl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)propan-1-one dihydrochloride Openeye Name: 3-(4-piperidyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)propan-1-one dihydrochloride CAS Name: 3-(4-piperidinyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)-1-propanone dihydrochloride IUPAC Name: 3-piperidin-4-yl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)propan-1-one dihydrochloride Traditional Name: 3-(4-piperidyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)propan-1-one dihydrochloride Formula: C18H28Cl2N2O MolecularWeight: 359.33372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CNC1)C=C(C=C2)C(=O)CCC3CCNCC3.Cl.Cl

Isomeric SMILES

C1CC2=C(CNC1)C=C(C=C2)C(=O)CCC3CCNCC3.Cl.Cl

InChI

InChI=1S/C18H26N2O.2ClH/c21-18(6-3-14-7-10-19-11-8-14)16-5-4-15-2-1-9-20-13-17(15)12-16;;/h4-5,12,14,19-20H,1-3,6-11,13H2;2*1H