N-(2-ethoxyphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2-ethoxyphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-ethoxyphenyl)-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-ethoxyphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-o-phenetyl-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

InChI

InChI=1S/C21H29N5O2/c1-5-28-19-10-7-6-9-18(19)24-21(27)26-12-8-11-25(13-14-26)20-15(2)16(3)22-17(4)23-20/h6-7,9-10H,5,8,11-14H2,1-4H3,(H,24,27)