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

Systemtic Name: 4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-phenethyl-phthalazine-1-carboxamide Openeye Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-N-phenethyl-phthalazine-1-carboxamide CAS Name: 4-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-N-phenethyl-1-phthalazinecarboxamide IUPAC Name: 4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-phenethylphthalazine-1-carboxamide Traditional Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazino]-N-phenethyl-phthalazine-1-carboxamide Formula: C28H28ClN5O2 MolecularWeight: 502.00722

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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=C5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C28H28ClN5O2/c1-36-25-12-11-21(29)19-24(25)33-15-17-34(18-16-33)27-23-10-6-5-9-22(23)26(31-32-27)28(35)30-14-13-20-7-3-2-4-8-20/h2-12,19H,13-18H2,1H3,(H,30,35)