N-(3-cyclopentyloxyphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-(3-cyclopentyloxyphenyl)-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[3-(cyclopentoxy)phenyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-cyclopentyloxyphenyl)-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-(3-cyclopentyloxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[3-(cyclopentoxy)phenyl]-4-keto-phthalazine-1-carboxamide Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O3/c31-26(28-20-11-8-14-22(17-20)33-21-12-4-5-13-21)25-23-15-6-7-16-24(23)27(32)30(29-25)18-19-9-2-1-3-10-19/h1-3,6-11,14-17,21H,4-5,12-13,18H2,(H,28,31)