N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-[4-(m-tolyl)piperazino]propyl]-3-phenyl-phthalazine-1-carboxamide Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O2/c1-22-9-7-12-24(21-22)33-19-17-32(18-20-33)16-8-15-30-28(35)27-25-13-5-6-14-26(25)29(36)34(31-27)23-10-3-2-4-11-23/h2-7,9-14,21H,8,15-20H2,1H3,(H,30,35)