3-[(2-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]pyrimido[5,4-b]indol-4-one

Systemtic Name: 3-[(2-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]pyrimido[5,4-b]indol-4-one Openeye Name: 3-[(2-methoxyphenyl)methyl]-5-(m-tolylmethyl)pyrimido[5,4-b]indol-4-one CAS Name: 3-[(2-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-pyrimido[5,4-b]indolone IUPAC Name: 3-[(2-methoxyphenyl)methyl]-5-[(3-methylphenyl)methyl]pyrimido[5,4-b]indol-4-one Traditional Name: 5-(3-methylbenzyl)-3-o-anisyl-pyrimid[5,4-b]indol-4-one Formula: C26H23N3O2 MolecularWeight: 409.47972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C4=C2C(=O)N(C=N4)CC5=CC=CC=C5OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C4=C2C(=O)N(C=N4)CC5=CC=CC=C5OC

InChI

InChI=1S/C26H23N3O2/c1-18-8-7-9-19(14-18)15-29-22-12-5-4-11-21(22)24-25(29)26(30)28(17-27-24)16-20-10-3-6-13-23(20)31-2/h3-14,17H,15-16H2,1-2H3