N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide Openeye Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]acetamide CAS Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]acetamide IUPAC Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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