N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-1-piperazinyl]-1-phthalazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)piperazino]phthalazine-1-carboxamide Formula: C26H24ClN5O2 MolecularWeight: 473.95406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NC5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NC5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H24ClN5O2/c1-34-21-9-5-8-20(17-21)31-12-14-32(15-13-31)25-23-11-3-2-10-22(23)24(29-30-25)26(33)28-19-7-4-6-18(27)16-19/h2-11,16-17H,12-15H2,1H3,(H,28,33)