(2S)-2-azanyl-4-[(4-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)butan-1-one

Systemtic Name: (2S)-2-azanyl-4-[(4-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)butan-1-one Openeye Name: (2S)-2-amino-4-[(4-chlorophenyl)methylamino]-1-(3-methyl-1-piperidyl)butan-1-one CAS Name: (2S)-2-amino-4-[(4-chlorophenyl)methylamino]-1-(3-methyl-1-piperidinyl)-1-butanone IUPAC Name: (2S)-2-amino-4-[(4-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)butan-1-one Traditional Name: (2S)-2-amino-4-[(4-chlorobenzyl)amino]-1-(3-methylpiperidino)butan-1-one Formula: C17H26ClN3O MolecularWeight: 323.86084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C(CCNCC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CC1CCCN(C1)C(=O)[C@H](CCNCC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C17H26ClN3O/c1-13-3-2-10-21(12-13)17(22)16(19)8-9-20-11-14-4-6-15(18)7-5-14/h4-7,13,16,20H,2-3,8-12,19H2,1H3/t13?,16-/m0/s1