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

Systemtic Name: N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide Openeye Name: N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]acetamide CAS Name: N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]acetamide IUPAC Name: N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: N-(4-ethylbenzyl)-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)CN2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O3/c1-3-19-4-6-20(7-5-19)17-27(2)25(31)18-28-12-14-29(15-13-28)23-8-9-24(30(32)33)22-16-26-11-10-21(22)23/h4-11,16H,3,12-15,17-18H2,1-2H3