2-[6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridin-3-yl]propan-2-amine

Systemtic Name: 2-[6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridin-3-yl]propan-2-amine Openeye Name: 2-[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-3-pyridyl]propan-2-amine CAS Name: 2-[6-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]-3-pyridinyl]-2-propanamine IUPAC Name: 2-[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl]propan-2-amine Traditional Name: [1-[6-[4-(4-benzylphthalazin-1-yl)piperazino]-3-pyridyl]-1-methyl-ethyl]amine Formula: C27H30N6 MolecularWeight: 438.5673

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6/c1-27(2,28)21-12-13-25(29-19-21)32-14-16-33(17-15-32)26-23-11-7-6-10-22(23)24(30-31-26)18-20-8-4-3-5-9-20/h3-13,19H,14-18,28H2,1-2H3