(phenylmethyl) 4-[2-azanyl-1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-azanyl-1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[2-amino-1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-amino-1-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-2-oxoethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-amino-1-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-amino-1-[3-(4-cyanobenzyl)imidazol-4-yl]-2-keto-ethyl]piperazine-1-carboxylic acid benzyl ester Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26N6O3/c26-14-19-6-8-20(9-7-19)16-31-18-28-15-22(31)23(24(27)32)29-10-12-30(13-11-29)25(33)34-17-21-4-2-1-3-5-21/h1-9,15,18,23H,10-13,16-17H2,(H2,27,32)