1-[4-(4-tert-butylphenyl)piperazin-1-yl]-4-(pyridin-4-ylmethyl)phthalazine

Systemtic Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-4-(pyridin-4-ylmethyl)phthalazine Openeye Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-4-(4-pyridylmethyl)phthalazine CAS Name: 1-[4-(4-tert-butylphenyl)-1-piperazinyl]-4-(pyridin-4-ylmethyl)phthalazine IUPAC Name: 1-[4-(4-tert-butylphenyl)piperazin-1-yl]-4-(pyridin-4-ylmethyl)phthalazine Traditional Name: 1-[4-(4-tert-butylphenyl)piperazino]-4-(4-pyridylmethyl)phthalazine Formula: C28H31N5 MolecularWeight: 437.57924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5/c1-28(2,3)22-8-10-23(11-9-22)32-16-18-33(19-17-32)27-25-7-5-4-6-24(25)26(30-31-27)20-21-12-14-29-15-13-21/h4-15H,16-20H2,1-3H3