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

Systemtic Name: (4aS,8aR)-4-(3,4-diethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: (4aS,8aR)-4-(3,4-diethoxyphenyl)-2-[[4-(morpholinomethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: (4aS,8aR)-4-(3,4-diethoxyphenyl)-2-[[4-(4-morpholinylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: (4aS,8aR)-4-(3,4-diethoxyphenyl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: (4aS,8aR)-4-(3,4-diethoxyphenyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37N3O4/c1-3-36-27-14-13-24(19-28(27)37-4-2)29-25-7-5-6-8-26(25)30(34)33(31-29)21-23-11-9-22(10-12-23)20-32-15-17-35-18-16-32/h5-6,9-14,19,25-26H,3-4,7-8,15-18,20-21H2,1-2H3/t25-,26+/m0/s1