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

Systemtic Name: N-(2-bromophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-bromophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C26H30BrN5O MolecularWeight: 508.4533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NC4=CC=CC=C4Br)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NC4=CC=CC=C4Br)C)C

InChI

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