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

Systemtic Name: (4aS,8aR)-4-(4-methoxy-3-propan-2-yloxy-phenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: (4aS,8aR)-4-(3-isopropoxy-4-methoxy-phenyl)-2-[[4-(morpholinomethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: (4aS,8aR)-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-[[4-(4-morpholinylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: (4aS,8aR)-4-(4-methoxy-3-propan-2-yloxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: (4aS,8aR)-4-(3-isopropoxy-4-methoxy-phenyl)-2-[4-(morpholinomethyl)benzyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C30H37N3O4 MolecularWeight: 503.63248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)C2=NN(C(=O)C3C2CC=CC3)CC4=CC=C(C=C4)CN5CCOCC5)OC

Isomeric SMILES

CC(C)OC1=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/C30H37N3O4/c1-21(2)37-28-18-24(12-13-27(28)35-3)29-25-6-4-5-7-26(25)30(34)33(31-29)20-23-10-8-22(9-11-23)19-32-14-16-36-17-15-32/h4-5,8-13,18,21,25-26H,6-7,14-17,19-20H2,1-3H3/t25-,26+/m0/s1