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

Systemtic Name: N-(2,4-dimethylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(2,4-dimethylphenyl)-4-(2,5,6-trimethyl-4-pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-4-(2,5,6-trimethylpyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-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:

CC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)N2CCCN(CC2)C3=NC(=NC(=C3C)C)C)C

InChI

InChI=1S/C21H29N5O/c1-14-7-8-19(15(2)13-14)24-21(27)26-10-6-9-25(11-12-26)20-16(3)17(4)22-18(5)23-20/h7-8,13H,6,9-12H2,1-5H3,(H,24,27)