(2S,3S)-2-azanyl-3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pentanamide

Systemtic Name: (2S,3S)-2-azanyl-3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pentanamide Openeye Name: (2S,3S)-2-amino-3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pentanamide CAS Name: (2S,3S)-2-amino-3-methyl-N-[4-(4-methyl-1-piperazinyl)phenyl]pentanamide IUPAC Name: (2S,3S)-2-amino-3-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pentanamide Traditional Name: (2S,3S)-2-amino-3-methyl-N-[4-(4-methylpiperazino)phenyl]valeramide Formula: C17H28N4O MolecularWeight: 304.43042

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=C(C=C1)N2CCN(CC2)C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)N2CCN(CC2)C)N

InChI

InChI=1S/C17H28N4O/c1-4-13(2)16(18)17(22)19-14-5-7-15(8-6-14)21-11-9-20(3)10-12-21/h5-8,13,16H,4,9-12,18H2,1-3H3,(H,19,22)/t13-,16-/m0/s1