(4R,11bR)-3-(cyclohexylideneamino)-9,10-dimethoxy-4-(4-nitrophenyl)-4,6,7,11b-tetrahydro-1H-pyrimido[6,1-a]isoquinolin-2-one

Systemtic Name: (4R,11bR)-3-(cyclohexylideneamino)-9,10-dimethoxy-4-(4-nitrophenyl)-4,6,7,11b-tetrahydro-1H-pyrimido[6,1-a]isoquinolin-2-one Openeye Name: (4R,11bR)-3-(cyclohexylideneamino)-9,10-dimethoxy-4-(4-nitrophenyl)-4,6,7,11b-tetrahydro-1H-pyrimido[6,1-a]isoquinolin-2-one CAS Name: (4R,11bR)-3-(cyclohexylideneamino)-9,10-dimethoxy-4-(4-nitrophenyl)-4,6,7,11b-tetrahydro-1H-pyrimido[6,1-a]isoquinolin-2-one IUPAC Name: (4R,11bR)-3-(cyclohexylideneamino)-9,10-dimethoxy-4-(4-nitrophenyl)-4,6,7,11b-tetrahydro-1H-pyrimido[6,1-a]isoquinolin-2-one Traditional Name: (4R,11bR)-3-(cyclohexylideneamino)-9,10-dimethoxy-4-(4-nitrophenyl)-4,6,7,11b-tetrahydro-1H-pyrimid[6,1-a]isoquinolin-2-one Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3CC(=O)N(C(N3CCC2=C1)C4=CC=C(C=C4)[N+](=O)[O-])N=C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]3CC(=O)N([C@@H](N3CCC2=C1)C4=CC=C(C=C4)[N+](=O)[O-])N=C5CCCCC5)OC

InChI

InChI=1S/C26H30N4O5/c1-34-23-14-18-12-13-28-22(21(18)15-24(23)35-2)16-25(31)29(27-19-6-4-3-5-7-19)26(28)17-8-10-20(11-9-17)30(32)33/h8-11,14-15,22,26H,3-7,12-13,16H2,1-2H3/t22-,26-/m1/s1