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

Systemtic Name: N-(3-methoxyphenyl)-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-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-methoxyphenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-methoxyphenyl)-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-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)OC)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)OC)C(C)C

InChI

InChI=1S/C27H33N5O2/c1-19(2)24-20(3)28-25(21-10-6-5-7-11-21)30-26(24)31-14-9-15-32(17-16-31)27(33)29-22-12-8-13-23(18-22)34-4/h5-8,10-13,18-19H,9,14-17H2,1-4H3,(H,29,33)