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

Systemtic Name: 4-(3-chloranyl-4-methoxy-phenyl)-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3-chloro-4-methoxy-phenyl)-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3-chloro-4-methoxyphenyl)-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3-chloro-4-methoxyphenyl)-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3-chloro-4-methoxy-phenyl)-2-cycloheptyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C22H27ClN2O2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O2/c1-27-20-13-12-15(14-19(20)23)21-17-10-6-7-11-18(17)22(26)25(24-21)16-8-4-2-3-5-9-16/h6-7,12-14,16-18H,2-5,8-11H2,1H3