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

Systemtic Name: N-[3-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-(4-methyl-1-piperazinyl)propyl]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[3-(4-methylpiperazino)propyl]phthalazine-1-carboxamide Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCN3CCN(CC3)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCN3CCN(CC3)C

InChI

InChI=1S/C21H31N5O2/c1-16(2)15-26-21(28)18-8-5-4-7-17(18)19(23-26)20(27)22-9-6-10-25-13-11-24(3)12-14-25/h4-5,7-8,16H,6,9-15H2,1-3H3,(H,22,27)