N-(3-bromophenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-bromophenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3-bromophenyl)-4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-bromophenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-bromophenyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3-bromophenyl)-4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C27H32BrN5O MolecularWeight: 522.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Br)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Br)CC4=CC=C(C=C4)C

InChI

InChI=1S/C27H32BrN5O/c1-4-25-24(17-21-11-9-19(2)10-12-21)26(30-20(3)29-25)32-13-6-14-33(16-15-32)27(34)31-23-8-5-7-22(28)18-23/h5,7-12,18H,4,6,13-17H2,1-3H3,(H,31,34)