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

Systemtic Name: 1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-3-(1-propylpiperidin-4-yl)propan-1-one Openeye Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-propyl-4-piperidyl)propan-1-one CAS Name: 1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-3-(1-propyl-4-piperidinyl)-1-propanone IUPAC Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-propylpiperidin-4-yl)propan-1-one Traditional Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-propyl-4-piperidyl)propan-1-one Formula: C28H38N2O MolecularWeight: 418.61412

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)CCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CCCN1CCC(CC1)CCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2

InChI

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