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

Systemtic Name: 4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)phthalazine-1-carboxamide Openeye Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-N-[2-(1-piperidyl)ethyl]phthalazine-1-carboxamide CAS Name: 4-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-N-[2-(1-piperidinyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)phthalazine-1-carboxamide Traditional Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazino]-N-(2-piperidinoethyl)phthalazine-1-carboxamide Formula: C27H33ClN6O2 MolecularWeight: 509.04292

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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)NCCN5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCCN5CCCCC5

InChI

InChI=1S/C27H33ClN6O2/c1-36-24-10-9-20(28)19-23(24)33-15-17-34(18-16-33)26-22-8-4-3-7-21(22)25(30-31-26)27(35)29-11-14-32-12-5-2-6-13-32/h3-4,7-10,19H,2,5-6,11-18H2,1H3,(H,29,35)