(5-bromanylfuran-2-yl)-[4-[6-[(phenylmethyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

Systemtic Name: (5-bromanylfuran-2-yl)-[4-[6-[(phenylmethyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: [4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-(5-bromo-2-furyl)methanone CAS Name: (5-bromo-2-furanyl)-[4-[6-[(phenylmethyl)amino]-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: [4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-(5-bromofuran-2-yl)methanone Traditional Name: [4-[6-(benzylamino)pyridazin-3-yl]piperazino]-(5-bromo-2-furyl)methanone Formula: C20H20BrN5O2 MolecularWeight: 442.3091

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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(O4)Br

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)NCC3=CC=CC=C3)C(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C20H20BrN5O2/c21-17-7-6-16(28-17)20(27)26-12-10-25(11-13-26)19-9-8-18(23-24-19)22-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,23)