N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide

Systemtic Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-(1-oxidanylideneisoquinolin-2-yl)ethanamide Openeye Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxo-propyl]-2-(1-oxo-2-isoquinolyl)acetamide CAS Name: N-[3-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]-2-(1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-(1-oxoisoquinolin-2-yl)acetamide Traditional Name: N-[3-[4-(2,5-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=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCNC(=O)CN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

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

InChI

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