1-(phenylmethyl)-4-[4-(5-prop-1-en-2-ylpyridin-2-yl)piperazin-1-yl]phthalazine

Systemtic Name: 1-(phenylmethyl)-4-[4-(5-prop-1-en-2-ylpyridin-2-yl)piperazin-1-yl]phthalazine Openeye Name: 1-benzyl-4-[4-(5-isopropenyl-2-pyridyl)piperazin-1-yl]phthalazine CAS Name: 1-[4-[5-(1-methylethenyl)-2-pyridinyl]-1-piperazinyl]-4-(phenylmethyl)phthalazine IUPAC Name: 1-benzyl-4-[4-(5-prop-1-en-2-ylpyridin-2-yl)piperazin-1-yl]phthalazine Traditional Name: 1-benzyl-4-[4-(5-isopropenyl-2-pyridyl)piperazino]phthalazine Formula: C27H27N5 MolecularWeight: 421.53678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC(=C)C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N5/c1-20(2)22-12-13-26(28-19-22)31-14-16-32(17-15-31)27-24-11-7-6-10-23(24)25(29-30-27)18-21-8-4-3-5-9-21/h3-13,19H,1,14-18H2,2H3