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

Systemtic Name: N-(2-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-(o-tolyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-methylphenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-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-(o-tolyl)-1,4-diazepane-1-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C(C)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=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(22-12-6-5-7-13-22)30-26(24)31-15-10-16-32(18-17-31)27(33)29-23-14-9-8-11-20(23)3/h5-9,11-14,19H,10,15-18H2,1-4H3,(H,29,33)