ethyl 6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[4-(phenylmethyl)phthalazin-1-yl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[4-(phenylmethyl)-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(4-benzylphthalazin-1-yl)piperazino]nicotinic acid ethyl ester Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O2/c1-2-34-27(33)21-12-13-25(28-19-21)31-14-16-32(17-15-31)26-23-11-7-6-10-22(23)24(29-30-26)18-20-8-4-3-5-9-20/h3-13,19H,2,14-18H2,1H3