3-cyclopentyl-1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 3-cyclopentyl-1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-cyclopentyl-propan-1-one Formula: C26H36N4O MolecularWeight: 420.59024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCC3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H36N4O/c1-20-24(19-23-11-4-3-5-12-23)26(28-21(2)27-20)30-16-8-15-29(17-18-30)25(31)14-13-22-9-6-7-10-22/h3-5,11-12,22H,6-10,13-19H2,1-2H3