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

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-3-(3,4-dimethoxyphenyl)propionamide Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)OC

InChI

InChI=1S/C21H24ClN3O4/c1-28-18-7-3-14(11-19(18)29-2)4-8-20(26)24-15-5-6-17(16(22)12-15)25-10-9-23-21(27)13-25/h3,5-7,11-12H,4,8-10,13H2,1-2H3,(H,23,27)(H,24,26)