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

Systemtic Name: 3-[1-(phenylmethyl)piperidin-4-yl]-1-(1-propyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)propan-1-one Openeye Name: 3-(1-benzyl-4-piperidyl)-1-(1-propyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)propan-1-one CAS Name: 3-[1-(phenylmethyl)-4-piperidinyl]-1-(1-propyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)-1-propanone IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(1-propyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)propan-1-one Traditional Name: 3-(1-benzyl-4-piperidyl)-1-(1-propyl-2,3,4,5-tetrahydro-1-benzazepin-8-yl)propan-1-one Formula: C28H38N2O MolecularWeight: 418.61412

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCCC2=C1C=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1CCCCC2=C1C=C(C=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H38N2O/c1-2-17-30-18-7-6-10-25-12-13-26(21-27(25)30)28(31)14-11-23-15-19-29(20-16-23)22-24-8-4-3-5-9-24/h3-5,8-9,12-13,21,23H,2,6-7,10-11,14-20,22H2,1H3