2-[bis(phenylmethyl)amino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

Systemtic Name: 2-[bis(phenylmethyl)amino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Openeye Name: 2-(dibenzylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one CAS Name: 2-[bis(phenylmethyl)amino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one IUPAC Name: 2-(dibenzylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one Traditional Name: 2-(dibenzylamino)-9,10-dimethoxy-6,7-dihydropyrimid[6,1-a]isoquinolin-4-one Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C28H27N3O3/c1-33-25-15-22-13-14-31-24(23(22)16-26(25)34-2)17-27(29-28(31)32)30(18-20-9-5-3-6-10-20)19-21-11-7-4-8-12-21/h3-12,15-17H,13-14,18-19H2,1-2H3