3-(aminocarbonylamino)-N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide

Systemtic Name: 3-(aminocarbonylamino)-N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(o-tolyl)-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-3-(2-methylphenyl)propanamide IUPAC Name: 3-(carbamoylamino)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(2-methylphenyl)propanamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-3-(o-tolyl)-3-ureido-propionamide Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)NC(=O)N

InChI

InChI=1S/C21H24ClN5O3/c1-13-4-2-3-5-15(13)17(26-21(23)30)11-19(28)25-14-6-7-18(16(22)10-14)27-9-8-24-20(29)12-27/h2-7,10,17H,8-9,11-12H2,1H3,(H,24,29)(H,25,28)(H3,23,26,30)