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

Systemtic Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-benzyl-4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-N-(phenylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-benzyl-4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Traditional Name: N-benzyl-4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NCC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)NCC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H33N5O/c1-20-10-12-23(13-11-20)18-25-21(2)29-22(3)30-26(25)31-14-7-15-32(17-16-31)27(33)28-19-24-8-5-4-6-9-24/h4-6,8-13H,7,14-19H2,1-3H3,(H,28,33)