4-(4-cyclopentyloxy-3-methoxy-phenyl)-2-(phenylmethyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one

Systemtic Name: 4-(4-cyclopentyloxy-3-methoxy-phenyl)-2-(phenylmethyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Openeye Name: 2-benzyl-4-[4-(cyclopentoxy)-3-methoxy-phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one CAS Name: 4-(4-cyclopentyloxy-3-methoxyphenyl)-2-(phenylmethyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one IUPAC Name: 2-benzyl-4-(4-cyclopentyloxy-3-methoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Traditional Name: 2-benzyl-4-[4-(cyclopentoxy)-3-methoxy-phenyl]-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C(=O)C3C2CCCC3)CC4=CC=CC=C4)OC5CCCC5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C(=O)C3C2CCCC3)CC4=CC=CC=C4)OC5CCCC5

InChI

InChI=1S/C27H32N2O3/c1-31-25-17-20(15-16-24(25)32-21-11-5-6-12-21)26-22-13-7-8-14-23(22)27(30)29(28-26)18-19-9-3-2-4-10-19/h2-4,9-10,15-17,21-23H,5-8,11-14,18H2,1H3