N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide

Systemtic Name: N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide Openeye Name: N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-propyl]-2-(1-oxo-2-isoquinolyl)acetamide CAS Name: N-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]-2-(1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide Traditional Name: N-[3-[4-(2,3-dimethylphenyl)piperazino]-3-keto-propyl]-2-(1-keto-2-isoquinolyl)acetamide Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3/c1-19-6-5-9-23(20(19)2)28-14-16-29(17-15-28)25(32)10-12-27-24(31)18-30-13-11-21-7-3-4-8-22(21)26(30)33/h3-9,11,13H,10,12,14-18H2,1-2H3,(H,27,31)