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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-methyl-4-(4-methylpiperazino)phenyl]-3-propyl-phthalazine-1-carboxamide Formula: C24H29N5O2 MolecularWeight: 419.51936

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)N4CCN(CC4)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=C(C=C3)N4CCN(CC4)C)C

InChI

InChI=1S/C24H29N5O2/c1-4-11-29-24(31)20-8-6-5-7-19(20)22(26-29)23(30)25-21-10-9-18(16-17(21)2)28-14-12-27(3)13-15-28/h5-10,16H,4,11-15H2,1-3H3,(H,25,30)