(phenylmethyl) 4-[5-(prop-2-enylcarbamoylamino)pyridin-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-(prop-2-enylcarbamoylamino)pyridin-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[5-(allylcarbamoylamino)-2-pyridyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[5-[[oxo-(prop-2-enylamino)methyl]amino]-2-pyridinyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-(prop-2-enylcarbamoylamino)pyridin-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[5-(allylcarbamoylamino)-2-pyridyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27N5O3/c1-2-11-23-21(28)25-19-9-10-20(24-16-19)26-12-6-13-27(15-14-26)22(29)30-17-18-7-4-3-5-8-18/h2-5,7-10,16H,1,6,11-15,17H2,(H2,23,25,28)