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

Systemtic Name: (4aS,8aR)-4-(3-chloranyl-4-methoxy-phenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: (4aS,8aR)-4-(3-chloro-4-methoxy-phenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: (4aS,8aR)-4-(3-chloro-4-methoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: (4aS,8aR)-4-(3-chloro-4-methoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: (4aS,8aR)-4-(3-chloro-4-methoxy-phenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C21H19ClN2O2 MolecularWeight: 366.84076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H19ClN2O2/c1-26-19-12-11-14(13-18(19)22)20-16-9-5-6-10-17(16)21(25)24(23-20)15-7-3-2-4-8-15/h2-8,11-13,16-17H,9-10H2,1H3/t16-,17+/m0/s1