4-(2,3-dimethylphenyl)-N-isoquinolin-5-yl-piperazine-1-carboxamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-isoquinolin-5-yl-piperazine-1-carboxamide Openeye Name: 4-(2,3-dimethylphenyl)-N-(5-isoquinolyl)piperazine-1-carboxamide CAS Name: 4-(2,3-dimethylphenyl)-N-(5-isoquinolinyl)-1-piperazinecarboxamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(5-isoquinolyl)piperazine-1-carboxamide Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC3=CC=CC4=C3C=CN=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)NC3=CC=CC4=C3C=CN=C4)C

InChI

InChI=1S/C22H24N4O/c1-16-5-3-8-21(17(16)2)25-11-13-26(14-12-25)22(27)24-20-7-4-6-18-15-23-10-9-19(18)20/h3-10,15H,11-14H2,1-2H3,(H,24,27)