2-[[7-[4-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]butanoyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[7-[4-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]butanoyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[7-[4-[1-[(2-chlorophenyl)methyl]-4-piperidyl]butanoyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]benzonitrile CAS Name: 2-[[7-[4-[1-[(2-chlorophenyl)methyl]-4-piperidinyl]-1-oxobutyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]benzonitrile IUPAC Name: 2-[[7-[4-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]butanoyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]benzonitrile Traditional Name: 2-[[7-[4-[1-(2-chlorobenzyl)-4-piperidyl]butanoyl]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]methyl]benzonitrile Formula: C34H38ClN3O MolecularWeight: 540.13802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4C#N)C=C2)CC5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCC1CCCC(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4C#N)C=C2)CC5=CC=CC=C5Cl

InChI

InChI=1S/C34H38ClN3O/c35-33-10-4-3-9-32(33)25-37-18-14-26(15-19-37)6-5-11-34(39)29-13-12-27-16-20-38(21-17-28(27)22-29)24-31-8-2-1-7-30(31)23-36/h1-4,7-10,12-13,22,26H,5-6,11,14-21,24-25H2