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(4aS,8aR)-2-cycloheptyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
(4aS,8aR)-2-cycloheptyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
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Canonical SMILES:
COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OC
Isomeric SMILES
COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4)OC
InChI
InChI=1S/C23H30N2O3/c1-27-20-14-13-16(15-21(20)28-2)22-18-11-7-8-12-19(18)23(26)25(24-22)17-9-5-3-4-6-10-17/h7-8,13-15,17-19H,3-6,9-12H2,1-2H3/t18-,19+/m0/s1
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