3-(4-bromophenyl)-9,10-dimethoxy-2,4,6,7-tetrahydropyrimido[6,1-a]isoquinoline-1-carbonitrile

Systemtic Name: 3-(4-bromophenyl)-9,10-dimethoxy-2,4,6,7-tetrahydropyrimido[6,1-a]isoquinoline-1-carbonitrile Openeye Name: 3-(4-bromophenyl)-9,10-dimethoxy-2,4,6,7-tetrahydropyrimido[6,1-a]isoquinoline-1-carbonitrile CAS Name: 3-(4-bromophenyl)-9,10-dimethoxy-2,4,6,7-tetrahydropyrimido[6,1-a]isoquinoline-1-carbonitrile IUPAC Name: 3-(4-bromophenyl)-9,10-dimethoxy-2,4,6,7-tetrahydropyrimido[6,1-a]isoquinoline-1-carbonitrile Traditional Name: 3-(4-bromophenyl)-9,10-dimethoxy-2,4,6,7-tetrahydropyrimid[6,1-a]isoquinoline-1-carbonitrile Formula: C21H20BrN3O2 MolecularWeight: 426.3064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=C(CN(C3)C4=CC=C(C=C4)Br)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=C(CN(C3)C4=CC=C(C=C4)Br)C#N)OC

InChI

InChI=1S/C21H20BrN3O2/c1-26-19-9-14-7-8-24-13-25(17-5-3-16(22)4-6-17)12-15(11-23)21(24)18(14)10-20(19)27-2/h3-6,9-10H,7-8,12-13H2,1-2H3