1-(3,4-dimethylphenyl)-4-[4-(phenylmethyl)piperidin-1-yl]phthalazine

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[4-(phenylmethyl)piperidin-1-yl]phthalazine Openeye Name: 1-(4-benzyl-1-piperidyl)-4-(3,4-dimethylphenyl)phthalazine CAS Name: 1-(3,4-dimethylphenyl)-4-[4-(phenylmethyl)-1-piperidinyl]phthalazine IUPAC Name: 1-(4-benzylpiperidin-1-yl)-4-(3,4-dimethylphenyl)phthalazine Traditional Name: 1-(4-benzylpiperidino)-4-(3,4-dimethylphenyl)phthalazine Formula: C28H29N3 MolecularWeight: 407.54996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H29N3/c1-20-12-13-24(18-21(20)2)27-25-10-6-7-11-26(25)28(30-29-27)31-16-14-23(15-17-31)19-22-8-4-3-5-9-22/h3-13,18,23H,14-17,19H2,1-2H3