N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-8-nitroisoquinolin-5-amine Traditional Name: [2-(4-methylpiperazino)-2-(2-thienyl)ethyl]-(8-nitro-5-isoquinolyl)amine Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

CN1CCN(CC1)C(CNC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C20H23N5O2S/c1-23-8-10-24(11-9-23)19(20-3-2-12-28-20)14-22-17-4-5-18(25(26)27)16-13-21-7-6-15(16)17/h2-7,12-13,19,22H,8-11,14H2,1H3