N-[(2-chlorophenyl)methyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]propanamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]propanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Traditional Name: N-(2-chlorobenzyl)-2-[4-(8-nitro-5-isoquinolyl)piperazino]propionamide Formula: C23H24ClN5O3 MolecularWeight: 453.92136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24ClN5O3/c1-16(23(30)26-14-17-4-2-3-5-20(17)24)27-10-12-28(13-11-27)21-6-7-22(29(31)32)19-15-25-9-8-18(19)21/h2-9,15-16H,10-14H2,1H3,(H,26,30)