2-(4-methoxyphenyl)-9-methyl-4-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[2,3-b]azepine

Systemtic Name: 2-(4-methoxyphenyl)-9-methyl-4-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[2,3-b]azepine Openeye Name: 2-(4-methoxyphenyl)-9-methyl-4-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[2,3-b]azepine CAS Name: 2-(4-methoxyphenyl)-9-methyl-4-(2-pyrimidinyl)-5,6,7,8-tetrahydropyrido[2,3-b]azepine IUPAC Name: 2-(4-methoxyphenyl)-9-methyl-4-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[2,3-b]azepine Traditional Name: 2-(4-methoxyphenyl)-9-methyl-4-(2-pyrimidyl)-5,6,7,8-tetrahydropyrid[2,3-b]azepine Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC2=C1N=C(C=C2C3=NC=CC=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCCCC2=C1N=C(C=C2C3=NC=CC=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N4O/c1-25-13-4-3-6-17-18(20-22-11-5-12-23-20)14-19(24-21(17)25)15-7-9-16(26-2)10-8-15/h5,7-12,14H,3-4,6,13H2,1-2H3