1-[(2S)-2-azanyl-4-[(4-chlorophenyl)methylamino]butanoyl]piperidine-2-carbonitrile

Systemtic Name: 1-[(2S)-2-azanyl-4-[(4-chlorophenyl)methylamino]butanoyl]piperidine-2-carbonitrile Openeye Name: 1-[(2S)-2-amino-4-[(4-chlorophenyl)methylamino]butanoyl]piperidine-2-carbonitrile CAS Name: 1-[(2S)-2-amino-4-[(4-chlorophenyl)methylamino]-1-oxobutyl]-2-piperidinecarbonitrile IUPAC Name: 1-[(2S)-2-amino-4-[(4-chlorophenyl)methylamino]butanoyl]piperidine-2-carbonitrile Traditional Name: 1-[(2S)-2-amino-4-[(4-chlorobenzyl)amino]butanoyl]pipecolinonitrile Formula: C17H23ClN4O MolecularWeight: 334.84372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C#N)C(=O)C(CCNCC2=CC=C(C=C2)Cl)N

Isomeric SMILES

C1CCN(C(C1)C#N)C(=O)[C@H](CCNCC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C17H23ClN4O/c18-14-6-4-13(5-7-14)12-21-9-8-16(20)17(23)22-10-2-1-3-15(22)11-19/h4-7,15-16,21H,1-3,8-10,12,20H2/t15?,16-/m0/s1