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

Systemtic Name: N-tert-butyl-4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-tert-butyl-1,4-diazepane-1-carboxamide CAS Name: N-tert-butyl-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-tert-butyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-tert-butyl-1,4-diazepane-1-carboxamide Formula: C23H33N5O MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H33N5O/c1-17-20(16-19-10-7-6-8-11-19)21(25-18(2)24-17)27-12-9-13-28(15-14-27)22(29)26-23(3,4)5/h6-8,10-11H,9,12-16H2,1-5H3,(H,26,29)