N-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide

Systemtic Name: N-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide Openeye Name: N-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-oxo-propyl]-2-(1-oxo-2-isoquinolyl)acetamide CAS Name: N-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl]-2-(1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide Traditional Name: N-[3-[4-(5-chloro-2-methyl-phenyl)piperazino]-3-keto-propyl]-2-(1-keto-2-isoquinolyl)acetamide Formula: C25H27ClN4O3 MolecularWeight: 466.95988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C25H27ClN4O3/c1-18-6-7-20(26)16-22(18)28-12-14-29(15-13-28)24(32)8-10-27-23(31)17-30-11-9-19-4-2-3-5-21(19)25(30)33/h2-7,9,11,16H,8,10,12-15,17H2,1H3,(H,27,31)