N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-(4-methyl-1-piperazinyl)phenyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[4-(4-methylpiperazino)phenyl]phthalazine-1-carboxamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C25H31N5O2/c1-3-4-7-14-30-25(32)22-9-6-5-8-21(22)23(27-30)24(31)26-19-10-12-20(13-11-19)29-17-15-28(2)16-18-29/h5-6,8-13H,3-4,7,14-18H2,1-2H3,(H,26,31)