N-(3-methylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(m-tolyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-methylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-methylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-N-(m-tolyl)-1,4-diazepane-1-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O/c1-19(2)24-21(4)28-25(22-11-6-5-7-12-22)30-26(24)31-14-9-15-32(17-16-31)27(33)29-23-13-8-10-20(3)18-23/h5-8,10-13,18-19H,9,14-17H2,1-4H3,(H,29,33)