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

Systemtic Name: 9,10-dimethoxy-3-(phenylmethyl)-2,4,6,7-tetrahydropyrimido[6,1-a]isoquinoline-1-carbonitrile Openeye Name: 3-benzyl-9,10-dimethoxy-2,4,6,7-tetrahydropyrimido[6,1-a]isoquinoline-1-carbonitrile CAS Name: 9,10-dimethoxy-3-(phenylmethyl)-2,4,6,7-tetrahydropyrimido[6,1-a]isoquinoline-1-carbonitrile IUPAC Name: 3-benzyl-9,10-dimethoxy-2,4,6,7-tetrahydropyrimido[6,1-a]isoquinoline-1-carbonitrile Traditional Name: 3-benzyl-9,10-dimethoxy-2,4,6,7-tetrahydropyrimid[6,1-a]isoquinoline-1-carbonitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN3C2=C(CN(C3)CC4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN3C2=C(CN(C3)CC4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C22H23N3O2/c1-26-20-10-17-8-9-25-15-24(13-16-6-4-3-5-7-16)14-18(12-23)22(25)19(17)11-21(20)27-2/h3-7,10-11H,8-9,13-15H2,1-2H3