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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

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