N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]-3-propyl-phthalazine-1-carboxamide Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CN=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CN=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C23H28N6O2/c1-3-10-29-23(31)19-7-5-4-6-18(19)21(26-29)22(30)25-16-17-8-9-20(24-15-17)28-13-11-27(2)12-14-28/h4-9,15H,3,10-14,16H2,1-2H3,(H,25,30)