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

Systemtic Name: N-(3-bromophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(3-bromophenyl)-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: N-(3-bromophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-bromophenyl)-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-(3-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=C4)Br)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)Br)C)C

InChI

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