4-[4-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]phthalazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]phthalazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-(4-benzoyl-2-methyl-piperazin-1-yl)phthalazin-1-yl]benzonitrile CAS Name: 4-[4-(4-benzoyl-2-methyl-1-piperazinyl)-1-phthalazinyl]benzonitrile IUPAC Name: 4-[4-(4-benzoyl-2-methylpiperazin-1-yl)phthalazin-1-yl]benzonitrile Traditional Name: 4-[4-(4-benzoyl-2-methyl-piperazino)phthalazin-1-yl]benzonitrile Formula: C27H23N5O MolecularWeight: 433.50442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O/c1-19-18-31(27(33)22-7-3-2-4-8-22)15-16-32(19)26-24-10-6-5-9-23(24)25(29-30-26)21-13-11-20(17-28)12-14-21/h2-14,19H,15-16,18H2,1H3