(phenylmethyl) N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[2-imidazol-1-yl-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-(1-imidazolyl)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-imidazol-1-yl-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]carbamic acid benzyl ester Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN2)C(=O)N3C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CC2=CN=CN2)C(=O)N3C=CN=C3

InChI

InChI=1S/C17H17N5O3/c23-16(22-7-6-18-12-22)15(8-14-9-19-11-20-14)21-17(24)25-10-13-4-2-1-3-5-13/h1-7,9,11-12,15H,8,10H2,(H,19,20)(H,21,24)