3-(3-chloranyl-4-methyl-phenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]propanamide

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]propanamide Openeye Name: 3-(3-chloro-4-methyl-phenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide CAS Name: 3-(3-chloro-4-methylphenyl)-N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]propanamide IUPAC Name: 3-(3-chloro-4-methylphenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide Traditional Name: 3-(3-chloro-4-methyl-phenyl)-N-[4-(3-ketopiperazino)benzyl]propionamide Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)NCC2=CC=C(C=C2)N3CCNC(=O)C3)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-15-2-3-16(12-19(15)22)6-9-20(26)24-13-17-4-7-18(8-5-17)25-11-10-23-21(27)14-25/h2-5,7-8,12H,6,9-11,13-14H2,1H3,(H,23,27)(H,24,26)