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

Systemtic Name: (3-nitrophenyl)-[4-[6-[(phenylmethyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: [4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: (3-nitrophenyl)-[4-[6-[(phenylmethyl)amino]-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: [4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-[6-(benzylamino)pyridazin-3-yl]piperazino]-(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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