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

Systemtic Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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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)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O2/c1-19-9-11-22(12-10-19)17-25-20(2)28-21(3)29-26(25)31-13-6-14-32(16-15-31)27(33)30-23-7-5-8-24(18-23)34-4/h5,7-12,18H,6,13-17H2,1-4H3,(H,30,33)