3-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)isoquinoline hydrochloride

Systemtic Name: 3-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)isoquinoline hydrochloride Openeye Name: 3-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)isoquinoline hydrochloride CAS Name: 3-(4-methyl-1-piperazinyl)-1-(4-nitrophenyl)isoquinoline hydrochloride IUPAC Name: 3-(4-methylpiperazin-1-yl)-1-(4-nitrophenyl)isoquinoline hydrochloride Traditional Name: 3-(4-methylpiperazino)-1-(4-nitrophenyl)isoquinoline hydrochloride Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H20N4O2.ClH/c1-22-10-12-23(13-11-22)19-14-16-4-2-3-5-18(16)20(21-19)15-6-8-17(9-7-15)24(25)26;/h2-9,14H,10-13H2,1H3;1H