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

Systemtic Name: 4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(1-naphthyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-(1-naphthyl)-1,4-diazepane-1-carboxamide Formula: C29H31N5O MolecularWeight: 465.58934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O/c1-21-26(20-23-10-4-3-5-11-23)28(31-22(2)30-21)33-16-9-17-34(19-18-33)29(35)32-27-15-8-13-24-12-6-7-14-25(24)27/h3-8,10-15H,9,16-20H2,1-2H3,(H,32,35)