2-cycloheptyl-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 2-cycloheptyl-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-cycloheptyl-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-cycloheptyl-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-cycloheptyl-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-cycloheptyl-4-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCC5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCC5CC5

InChI

InChI=1S/C26H34N2O3/c1-30-23-15-14-19(16-24(23)31-17-18-12-13-18)25-21-10-6-7-11-22(21)26(29)28(27-25)20-8-4-2-3-5-9-20/h6-7,14-16,18,20-22H,2-5,8-13,17H2,1H3