(4-nitrophenyl)-[4-[6-[(phenylmethyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

Systemtic Name: (4-nitrophenyl)-[4-[6-[(phenylmethyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: [4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: (4-nitrophenyl)-[4-[6-[(phenylmethyl)amino]-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: [4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[6-(benzylamino)pyridazin-3-yl]piperazino]-(4-nitrophenyl)methanone Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)NCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)NCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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