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

Systemtic Name: 2-cycloheptyl-4-[3-(4-imidazol-1-ylbutoxy)-4-methoxy-phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 2-cycloheptyl-4-[3-(4-imidazol-1-ylbutoxy)-4-methoxy-phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 2-cycloheptyl-4-[3-[4-(1-imidazolyl)butoxy]-4-methoxyphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 2-cycloheptyl-4-[3-(4-imidazol-1-ylbutoxy)-4-methoxyphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 2-cycloheptyl-4-[3-(4-imidazol-1-ylbutoxy)-4-methoxy-phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C29H38N4O3 MolecularWeight: 490.63702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCCN5C=CN=C5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCCN5C=CN=C5

InChI

InChI=1S/C29H38N4O3/c1-35-26-15-14-22(20-27(26)36-19-9-8-17-32-18-16-30-21-32)28-24-12-6-7-13-25(24)29(34)33(31-28)23-10-4-2-3-5-11-23/h6-7,14-16,18,20-21,23-25H,2-5,8-13,17,19H2,1H3