[4-[(3-methoxyphenyl)amino]-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [4-[(3-methoxyphenyl)amino]-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: [4-(3-methoxyanilino)-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: [4-(3-methoxyanilino)-2-phenyl-5-pyrimidinyl]-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: [4-(3-methoxyanilino)-2-phenylpyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: [4-(m-anisidino)-2-phenyl-pyrimidin-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C24H27N5O2 MolecularWeight: 417.50348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=CN=C(N=C2NC3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=CN=C(N=C2NC3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-28-12-7-13-29(15-14-28)24(30)21-17-25-22(18-8-4-3-5-9-18)27-23(21)26-19-10-6-11-20(16-19)31-2/h3-6,8-11,16-17H,7,12-15H2,1-2H3,(H,25,26,27)