N-(3-nitrophenyl)-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazine-1-carboxamide

Systemtic Name: N-(3-nitrophenyl)-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperazine-1-carboxamide Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide CAS Name: N-(3-nitrophenyl)-4-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]-N-(3-nitrophenyl)piperazine-1-carboxamide Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4/c26-19(21-14-16-5-2-1-3-6-16)15-23-9-11-24(12-10-23)20(27)22-17-7-4-8-18(13-17)25(28)29/h1-8,13H,9-12,14-15H2,(H,21,26)(H,22,27)