2-cycloheptyl-4-(3,4-diethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one

Systemtic Name: 2-cycloheptyl-4-(3,4-diethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Openeye Name: 2-cycloheptyl-4-(3,4-diethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one CAS Name: 2-cycloheptyl-4-(3,4-diethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one IUPAC Name: 2-cycloheptyl-4-(3,4-diethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Traditional Name: 2-cycloheptyl-4-(3,4-diethoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)C4CCCCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CCCC3)C4CCCCCC4)OCC

InChI

InChI=1S/C25H36N2O3/c1-3-29-22-16-15-18(17-23(22)30-4-2)24-20-13-9-10-14-21(20)25(28)27(26-24)19-11-7-5-6-8-12-19/h15-17,19-21H,3-14H2,1-2H3