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

Systemtic Name: 4-[3-[2-(benzimidazol-1-yl)ethoxy]-4-methoxy-phenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-[3-[2-(benzimidazol-1-yl)ethoxy]-4-methoxy-phenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-[3-[2-(1-benzimidazolyl)ethoxy]-4-methoxyphenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-[3-[2-(benzimidazol-1-yl)ethoxy]-4-methoxyphenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-[3-[2-(benzimidazol-1-yl)ethoxy]-4-methoxy-phenyl]-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C31H36N4O3 MolecularWeight: 512.64254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCN5C=NC6=CC=CC=C65

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCN5C=NC6=CC=CC=C65

InChI

InChI=1S/C31H36N4O3/c1-37-28-17-16-22(20-29(28)38-19-18-34-21-32-26-14-8-9-15-27(26)34)30-24-12-6-7-13-25(24)31(36)35(33-30)23-10-4-2-3-5-11-23/h6-9,14-17,20-21,23-25H,2-5,10-13,18-19H2,1H3