4-[[4-[(3S)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3S)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[(3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(3S)-1-(4-chlorobenzoyl)nipecotoyl]piperazino]methyl]benzonitrile Formula: C25H27ClN4O2 MolecularWeight: 450.96048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H27ClN4O2/c26-23-9-7-21(8-10-23)24(31)30-11-1-2-22(18-30)25(32)29-14-12-28(13-15-29)17-20-5-3-19(16-27)4-6-20/h3-10,22H,1-2,11-15,17-18H2/t22-/m0/s1