(4aS,8aR)-4-(3-ethoxy-4-methoxy-phenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: (4aS,8aR)-4-(3-ethoxy-4-methoxy-phenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: (4aS,8aR)-4-(3-ethoxy-4-methoxy-phenyl)-2-[[4-(morpholinomethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: (4aS,8aR)-4-(3-ethoxy-4-methoxyphenyl)-2-[[4-(4-morpholinylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: (4aS,8aR)-4-(3-ethoxy-4-methoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: (4aS,8aR)-4-(3-ethoxy-4-methoxy-phenyl)-2-[4-(morpholinomethyl)benzyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C29H35N3O4 MolecularWeight: 489.6059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=NN(C(=O)C3C2CC=CC3)CC4=CC=C(C=C4)CN5CCOCC5)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)CC4=CC=C(C=C4)CN5CCOCC5)OC

InChI

InChI=1S/C29H35N3O4/c1-3-36-27-18-23(12-13-26(27)34-2)28-24-6-4-5-7-25(24)29(33)32(30-28)20-22-10-8-21(9-11-22)19-31-14-16-35-17-15-31/h4-5,8-13,18,24-25H,3,6-7,14-17,19-20H2,1-2H3/t24-,25+/m0/s1