[3-nitro-4-[(phenylmethyl)amino]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-nitro-4-[(phenylmethyl)amino]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(benzylamino)-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-nitro-4-[(phenylmethyl)amino]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-(benzylamino)-3-nitrophenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(benzylamino)-3-nitro-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O3/c29-21(26-11-13-27(14-12-26)22-23-9-4-10-24-22)18-7-8-19(20(15-18)28(30)31)25-16-17-5-2-1-3-6-17/h1-10,15,25H,11-14,16H2