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

Systemtic Name: 3-(1-phenethylpiperidin-4-yl)-1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]propan-1-one Openeye Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-phenethyl-4-piperidyl)propan-1-one CAS Name: 3-(1-phenethyl-4-piperidinyl)-1-[3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1-propanone IUPAC Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-phenethylpiperidin-4-yl)propan-1-one Traditional Name: 1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-(1-phenethyl-4-piperidyl)propan-1-one Formula: C33H40N2O MolecularWeight: 480.6835

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2)CCC5=CC=CC=C5

InChI

InChI=1S/C33H40N2O/c36-33(14-11-28-16-21-34(22-17-28)20-15-27-7-3-1-4-8-27)32-13-12-30-18-23-35(24-19-31(30)25-32)26-29-9-5-2-6-10-29/h1-10,12-13,25,28H,11,14-24,26H2