1-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine Openeye Name: 1-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine CAS Name: 1-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)-1-piperazinyl]phthalazine IUPAC Name: 1-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazine Traditional Name: 1-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazino]phthalazine Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC)C

InChI

InChI=1S/C27H28N4O/c1-19-12-13-21(18-20(19)2)26-22-8-4-5-9-23(22)27(29-28-26)31-16-14-30(15-17-31)24-10-6-7-11-25(24)32-3/h4-13,18H,14-17H2,1-3H3