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

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-methyl-4-(4-methylpiperazino)phenyl]phthalazine-1-carboxamide Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2/c1-20-18-22(32-16-14-31(2)15-17-32)12-13-25(20)29-27(34)26-23-10-6-7-11-24(23)28(35)33(30-26)19-21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3,(H,29,34)