N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]phthalazine-1-carboxamide Formula: C24H30N5O2+ MolecularWeight: 420.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C24H29N5O2/c1-17(2)16-29-24(31)21-7-5-4-6-20(21)22(26-29)23(30)25-18-8-10-19(11-9-18)28-14-12-27(3)13-15-28/h4-11,17H,12-16H2,1-3H3,(H,25,30)/p+1