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

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-4-keto-phthalazine-1-carboxamide Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H31N5O2/c1-3-32-15-17-33(18-16-32)23-13-14-26(21(2)19-23)30-28(35)27-24-11-7-8-12-25(24)29(36)34(31-27)20-22-9-5-4-6-10-22/h4-14,19H,3,15-18,20H2,1-2H3,(H,30,35)