2-cyclopentyl-4-(4-methoxyphenyl)-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine

Systemtic Name: 2-cyclopentyl-4-(4-methoxyphenyl)-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine Openeye Name: 2-cyclopentyl-4-(4-methoxyphenyl)-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine CAS Name: 2-cyclopentyl-4-(4-methoxyphenyl)-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine IUPAC Name: 2-cyclopentyl-4-(4-methoxyphenyl)-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine Traditional Name: 2-cyclopentyl-4-(4-methoxyphenyl)-7-methyl-5,6,8,9-tetrahydropyrimid[4,5-d]azepine Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(N=C(N=C2CC1)C3CCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCC2=C(N=C(N=C2CC1)C3CCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H27N3O/c1-24-13-11-18-19(12-14-24)22-21(16-5-3-4-6-16)23-20(18)15-7-9-17(25-2)10-8-15/h7-10,16H,3-6,11-14H2,1-2H3