(phenylmethyl) 4-[3-azanyl-4-(phenylcarbonyl)phenyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-azanyl-4-(phenylcarbonyl)phenyl]piperazine-1-carboxylate Openeye Name: benzyl 4-(3-amino-4-benzoyl-phenyl)piperazine-1-carboxylate CAS Name: 4-(3-amino-4-benzoylphenyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-amino-4-benzoylphenyl)piperazine-1-carboxylate Traditional Name: 4-(3-amino-4-benzoyl-phenyl)piperazine-1-carboxylic acid benzyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3/c26-23-17-21(11-12-22(23)24(29)20-9-5-2-6-10-20)27-13-15-28(16-14-27)25(30)31-18-19-7-3-1-4-8-19/h1-12,17H,13-16,18,26H2