N-cyclohexyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-cyclohexyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-cyclohexyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-cyclohexyl-4-[4-(4-methoxyphenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-cyclohexyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-cyclohexyl-4-[4-(4-methoxyphenyl)piperazino]phthalazine-1-carboxamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NC5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NC5CCCCC5

InChI

InChI=1S/C26H31N5O2/c1-33-21-13-11-20(12-14-21)30-15-17-31(18-16-30)25-23-10-6-5-9-22(23)24(28-29-25)26(32)27-19-7-3-2-4-8-19/h5-6,9-14,19H,2-4,7-8,15-18H2,1H3,(H,27,32)