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

Systemtic Name: (4aS,8aR)-4-(3-chloranyl-4-ethoxy-phenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: (4aS,8aR)-4-(3-chloro-4-ethoxy-phenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: (4aS,8aR)-4-(3-chloro-4-ethoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: (4aS,8aR)-4-(3-chloro-4-ethoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: (4aS,8aR)-4-(3-chloro-4-ethoxy-phenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C22H21ClN2O2 MolecularWeight: 380.86734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H21ClN2O2/c1-2-27-20-13-12-15(14-19(20)23)21-17-10-6-7-11-18(17)22(26)25(24-21)16-8-4-3-5-9-16/h3-9,12-14,17-18H,2,10-11H2,1H3/t17-,18+/m0/s1