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

Systemtic Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(1-naphthyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(1-naphthyl)-1,4-diazepane-1-carboxamide Formula: C30H33N5O MolecularWeight: 479.61592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C30H33N5O/c1-3-27-26(21-23-11-5-4-6-12-23)29(32-22(2)31-27)34-17-10-18-35(20-19-34)30(36)33-28-16-9-14-24-13-7-8-15-25(24)28/h4-9,11-16H,3,10,17-21H2,1-2H3,(H,33,36)