N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-(4-ethylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-4-(4-ethylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-(4-ethylphenyl)-4-oxo-butanamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-4-(4-ethylphenyl)-4-oxobutanamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-(4-ethylphenyl)-4-oxobutanamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-4-(4-ethylphenyl)-4-keto-butyramide Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

InChI

InChI=1S/C22H24ClN3O3/c1-2-15-3-5-16(6-4-15)20(27)9-10-21(28)25-17-7-8-19(18(23)13-17)26-12-11-24-22(29)14-26/h3-8,13H,2,9-12,14H2,1H3,(H,24,29)(H,25,28)