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

Systemtic Name: 3-[1-(phenylmethyl)piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)propan-1-one Openeye Name: 3-(1-benzyl-4-piperidyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)propan-1-one CAS Name: 3-[1-(phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)-1-propanone IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)propan-1-one Traditional Name: 3-(1-benzyl-4-piperidyl)-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl)propan-1-one Formula: C25H32N2O MolecularWeight: 376.53438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CNC1)C=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(CNC1)C=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

InChI

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