(phenylmethyl) N-[3-[4-(3-pyrazol-1-ylpropanoylamino)butyl]oxiran-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[4-(3-pyrazol-1-ylpropanoylamino)butyl]oxiran-2-yl]carbamate Openeye Name: benzyl N-[3-[4-(3-pyrazol-1-ylpropanoylamino)butyl]oxiran-2-yl]carbamate CAS Name: N-[3-[4-[[1-oxo-3-(1-pyrazolyl)propyl]amino]butyl]-2-oxiranyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[4-(3-pyrazol-1-ylpropanoylamino)butyl]oxiran-2-yl]carbamate Traditional Name: N-[3-[4-(3-pyrazol-1-ylpropanoylamino)butyl]oxiran-2-yl]carbamic acid benzyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2C(O2)CCCCNC(=O)CCN3C=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C(O2)CCCCNC(=O)CCN3C=CC=N3

InChI

InChI=1S/C20H26N4O4/c25-18(10-14-24-13-6-12-22-24)21-11-5-4-9-17-19(28-17)23-20(26)27-15-16-7-2-1-3-8-16/h1-3,6-8,12-13,17,19H,4-5,9-11,14-15H2,(H,21,25)(H,23,26)