4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide

Systemtic Name: 4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-N-[2-(2-pyridyl)ethyl]phthalazine-1-carboxamide CAS Name: 4-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-N-[2-(2-pyridinyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazino]-N-[2-(2-pyridyl)ethyl]phthalazine-1-carboxamide Formula: C27H27ClN6O2 MolecularWeight: 502.99528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCCC5=CC=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCCC5=CC=CC=N5

InChI

InChI=1S/C27H27ClN6O2/c1-36-24-10-9-19(28)18-23(24)33-14-16-34(17-15-33)26-22-8-3-2-7-21(22)25(31-32-26)27(35)30-13-11-20-6-4-5-12-29-20/h2-10,12,18H,11,13-17H2,1H3,(H,30,35)