N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]acetamide CAS Name: N-methyl-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: N-benzyl-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3/c1-25(16-18-5-3-2-4-6-18)23(29)17-26-11-13-27(14-12-26)21-7-8-22(28(30)31)20-15-24-10-9-19(20)21/h2-10,15H,11-14,16-17H2,1H3