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

Systemtic Name: 4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: N-benzyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide CAS Name: 4-[4-(3-methoxyphenyl)-1-piperazinyl]-N-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-benzyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide Traditional Name: N-benzyl-4-[4-(3-methoxyphenyl)piperazino]phthalazine-1-carboxamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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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)NCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2/c1-34-22-11-7-10-21(18-22)31-14-16-32(17-15-31)26-24-13-6-5-12-23(24)25(29-30-26)27(33)28-19-20-8-3-2-4-9-20/h2-13,18H,14-17,19H2,1H3,(H,28,33)