cyclohexyl-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: cyclohexyl-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclohexyl-methanone CAS Name: cyclohexyl-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclohexylmethanone Traditional Name: [4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-cyclohexyl-methanone Formula: C25H34N4O MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)C3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c1-19-23(18-21-10-5-3-6-11-21)24(27-20(2)26-19)28-14-9-15-29(17-16-28)25(30)22-12-7-4-8-13-22/h3,5-6,10-11,22H,4,7-9,12-18H2,1-2H3