(phenylmethyl) 4-[5-[(4-methoxyphenyl)carbamoylamino]pyridin-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-[(4-methoxyphenyl)carbamoylamino]pyridin-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[5-[(4-methoxyphenyl)carbamoylamino]-2-pyridyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[5-[[(4-methoxyanilino)-oxomethyl]amino]-2-pyridinyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-[(4-methoxyphenyl)carbamoylamino]pyridin-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[5-[(4-methoxyphenyl)carbamoylamino]-2-pyridyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C26H29N5O4 MolecularWeight: 475.53956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=CN=C(C=C2)N3CCCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O4/c1-34-23-11-8-21(9-12-23)28-25(32)29-22-10-13-24(27-18-22)30-14-5-15-31(17-16-30)26(33)35-19-20-6-3-2-4-7-20/h2-4,6-13,18H,5,14-17,19H2,1H3,(H2,28,29,32)