N-(3-bromophenyl)-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-bromophenyl)-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(3-bromophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-bromophenyl)-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-(3-bromophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(3-bromophenyl)-1,4-diazepane-1-carboxamide Formula: C25H28BrN5O MolecularWeight: 494.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Br)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C25H28BrN5O/c1-18-23(16-20-8-4-3-5-9-20)24(28-19(2)27-18)30-12-7-13-31(15-14-30)25(32)29-22-11-6-10-21(26)17-22/h3-6,8-11,17H,7,12-16H2,1-2H3,(H,29,32)