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

Systemtic Name: N-(4-bromophenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(4-bromophenyl)-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-bromophenyl)-4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-bromophenyl)-4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-bromophenyl)-4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C26H30BrN5O MolecularWeight: 508.4533

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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=C(C=C4)Br)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrN5O/c1-18(2)23-19(3)28-24(20-8-5-4-6-9-20)30-25(23)31-14-7-15-32(17-16-31)26(33)29-22-12-10-21(27)11-13-22/h4-6,8-13,18H,7,14-17H2,1-3H3,(H,29,33)