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

Systemtic Name: N-cyclohexyl-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-cyclohexyl-1,4-diazepane-1-carboxamide CAS Name: N-cyclohexyl-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-N-cyclohexyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-N-cyclohexyl-1,4-diazepane-1-carboxamide Formula: C25H35N5O MolecularWeight: 421.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H35N5O/c1-19-23(18-21-10-5-3-6-11-21)24(27-20(2)26-19)29-14-9-15-30(17-16-29)25(31)28-22-12-7-4-8-13-22/h3,5-6,10-11,22H,4,7-9,12-18H2,1-2H3,(H,28,31)