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

Systemtic Name: 4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-N-ethyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide CAS Name: 4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-N-ethyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-ethyl-1,4-diazepane-1-carboxamide Formula: C21H29N5O MolecularWeight: 367.48786

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C

Isomeric SMILES

CCNC(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H29N5O/c1-4-22-21(27)26-12-8-11-25(13-14-26)20-19(16(2)23-17(3)24-20)15-18-9-6-5-7-10-18/h5-7,9-10H,4,8,11-15H2,1-3H3,(H,22,27)