ethyl 4-[[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]benzoate CAS Name: 4-[[[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]benzoate Traditional Name: 4-[[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C29H35N5O3 MolecularWeight: 501.6199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)C(=O)OCC)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)C(=O)OCC)CC4=CC=CC=C4

InChI

InChI=1S/C29H35N5O3/c1-4-26-25(20-22-10-7-6-8-11-22)27(31-21(3)30-26)33-16-9-17-34(19-18-33)29(36)32-24-14-12-23(13-15-24)28(35)37-5-2/h6-8,10-15H,4-5,9,16-20H2,1-3H3,(H,32,36)