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

Systemtic Name: N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: 3-isopropyl-N-[4-[[4-(m-tolyl)piperazin-1-yl]methyl]phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[4-[[4-(3-methylphenyl)-1-piperazinyl]methyl]phenyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: 3-isopropyl-4-keto-N-[4-[[4-(m-tolyl)piperazino]methyl]phenyl]phthalazine-1-carboxamide Formula: C30H33N5O2 MolecularWeight: 495.61532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)NC(=O)C4=NN(C(=O)C5=CC=CC=C54)C(C)C

InChI

InChI=1S/C30H33N5O2/c1-21(2)35-30(37)27-10-5-4-9-26(27)28(32-35)29(36)31-24-13-11-23(12-14-24)20-33-15-17-34(18-16-33)25-8-6-7-22(3)19-25/h4-14,19,21H,15-18,20H2,1-3H3,(H,31,36)