N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-[4-(m-tolyl)piperazino]ethyl]-3-phenyl-phthalazine-1-carboxamide Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O2/c1-21-8-7-11-23(20-21)32-18-16-31(17-19-32)15-14-29-27(34)26-24-12-5-6-13-25(24)28(35)33(30-26)22-9-3-2-4-10-22/h2-13,20H,14-19H2,1H3,(H,29,34)