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

Systemtic Name: 4-[4-(5-chloranyl-2-methoxy-phenyl)piperazin-1-yl]-N-prop-2-ynyl-phthalazine-1-carboxamide Openeye Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazin-1-yl]-N-prop-2-ynyl-phthalazine-1-carboxamide CAS Name: 4-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]-N-prop-2-ynyl-1-phthalazinecarboxamide IUPAC Name: 4-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-prop-2-ynylphthalazine-1-carboxamide Traditional Name: 4-[4-(5-chloro-2-methoxy-phenyl)piperazino]-N-propargyl-phthalazine-1-carboxamide Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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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)NCC#C

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN5O2/c1-3-10-25-23(30)21-17-6-4-5-7-18(17)22(27-26-21)29-13-11-28(12-14-29)19-15-16(24)8-9-20(19)31-2/h1,4-9,15H,10-14H2,2H3,(H,25,30)