N-(3-ethylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-ethylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3-ethylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-ethylphenyl)-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3-ethylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3-ethylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C

InChI

InChI=1S/C21H29N5O/c1-5-18-8-6-9-19(14-18)24-21(27)26-11-7-10-25(12-13-26)20-15(2)16(3)22-17(4)23-20/h6,8-9,14H,5,7,10-13H2,1-4H3,(H,24,27)