2-[1-(4-bromophenyl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 2-[1-(4-bromophenyl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-[1-(4-bromophenyl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-[1-(4-bromophenyl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-[1-(4-bromophenyl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-[1-(4-bromophenyl)ethylamino]-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC2=NC(=O)N3CCC4=CC(=C(C=C4C3=C2)OC)OC

InChI

InChI=1S/C22H22BrN3O3/c1-13(14-4-6-16(23)7-5-14)24-21-12-18-17-11-20(29-3)19(28-2)10-15(17)8-9-26(18)22(27)25-21/h4-7,10-13H,8-9H2,1-3H3,(H,24,25,27)