[3-nitro-4-[(phenylmethyl)amino]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

Systemtic Name: [3-nitro-4-[(phenylmethyl)amino]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone Openeye Name: [4-(benzylamino)-3-nitro-phenyl]-[4-(4-pyridyl)piperazin-1-yl]methanone CAS Name: [3-nitro-4-[(phenylmethyl)amino]phenyl]-(4-pyridin-4-yl-1-piperazinyl)methanone IUPAC Name: [4-(benzylamino)-3-nitrophenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone Traditional Name: [4-(benzylamino)-3-nitro-phenyl]-[4-(4-pyridyl)piperazino]methanone Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O3/c29-23(27-14-12-26(13-15-27)20-8-10-24-11-9-20)19-6-7-21(22(16-19)28(30)31)25-17-18-4-2-1-3-5-18/h1-11,16,25H,12-15,17H2