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

Systemtic Name: 1-(2-phenethyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one Openeye Name: 3-(1-benzyl-4-piperidyl)-1-(2-phenethyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-one CAS Name: 1-(2-phenethyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)-3-[1-(phenylmethyl)-4-piperidinyl]-1-propanone IUPAC Name: 3-(1-benzylpiperidin-4-yl)-1-(2-phenethyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-one Traditional Name: 3-(1-benzyl-4-piperidyl)-1-(2-phenethyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-one Formula: C33H40N2O MolecularWeight: 480.6835

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CN(C1)CCC3=CC=CC=C3)C=C(C=C2)C(=O)CCC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC2=C(CN(C1)CCC3=CC=CC=C3)C=C(C=C2)C(=O)CCC4CCN(CC4)CC5=CC=CC=C5

InChI

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