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

Systemtic Name: N-(3-cyanophenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-cyanophenyl)-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-cyanophenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-cyanophenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-cyanophenyl)-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C27H30N6O MolecularWeight: 454.5667

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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)C#N)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O/c1-19(2)24-20(3)29-25(22-10-5-4-6-11-22)31-26(24)32-13-8-14-33(16-15-32)27(34)30-23-12-7-9-21(17-23)18-28/h4-7,9-12,17,19H,8,13-16H2,1-3H3,(H,30,34)