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

Systemtic Name: 1-(3-phenethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(3-phenethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)propan-1-one CAS Name: 1-(3-phenethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(3-phenethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)propan-1-one Traditional Name: 3-(4-benzylpiperazino)-1-(3-phenethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)propan-1-one Formula: C32H39N3O MolecularWeight: 481.67156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=C1C=CC(=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC2=C1C=CC(=C2)C(=O)CCN3CCN(CC3)CC4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C32H39N3O/c36-32(16-20-34-21-23-35(24-22-34)26-28-9-5-2-6-10-28)31-12-11-29-14-18-33(19-15-30(29)25-31)17-13-27-7-3-1-4-8-27/h1-12,25H,13-24,26H2