[4-[4-(4-dimethylaminophenyl)phthalazin-1-yl]-3-methyl-piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[4-(4-dimethylaminophenyl)phthalazin-1-yl]-3-methyl-piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[4-(4-dimethylaminophenyl)phthalazin-1-yl]-3-methyl-piperazin-1-yl]-phenyl-methanone CAS Name: [4-[4-(4-dimethylaminophenyl)-1-phthalazinyl]-3-methyl-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[4-(4-dimethylaminophenyl)phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone Traditional Name: [4-[4-(4-dimethylaminophenyl)phthalazin-1-yl]-3-methyl-piperazino]-phenyl-methanone Formula: C28H29N5O MolecularWeight: 451.56276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O/c1-20-19-32(28(34)22-9-5-4-6-10-22)17-18-33(20)27-25-12-8-7-11-24(25)26(29-30-27)21-13-15-23(16-14-21)31(2)3/h4-16,20H,17-19H2,1-3H3