2-[6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridin-3-yl]propane-1,2-diol

Systemtic Name: 2-[6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridin-3-yl]propane-1,2-diol Openeye Name: 2-[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-3-pyridyl]propane-1,2-diol CAS Name: 2-[6-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]-3-pyridinyl]propane-1,2-diol IUPAC Name: 2-[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl]propane-1,2-diol Traditional Name: 2-[6-[4-(4-benzylphthalazin-1-yl)piperazino]-3-pyridyl]propane-1,2-diol Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N5O2/c1-27(34,19-33)21-11-12-25(28-18-21)31-13-15-32(16-14-31)26-23-10-6-5-9-22(23)24(29-30-26)17-20-7-3-2-4-8-20/h2-12,18,33-34H,13-17,19H2,1H3