2-[(6-chloranylpyridazin-3-yl)amino]-5,6-dimethoxy-4-piperidin-4-yl-3-propyl-benzamide

Systemtic Name: 2-[(6-chloranylpyridazin-3-yl)amino]-5,6-dimethoxy-4-piperidin-4-yl-3-propyl-benzamide Openeye Name: 2-[(6-chloropyridazin-3-yl)amino]-5,6-dimethoxy-4-(4-piperidyl)-3-propyl-benzamide CAS Name: 2-[(6-chloro-3-pyridazinyl)amino]-5,6-dimethoxy-4-(4-piperidinyl)-3-propylbenzamide IUPAC Name: 2-[(6-chloropyridazin-3-yl)amino]-5,6-dimethoxy-4-piperidin-4-yl-3-propylbenzamide Traditional Name: 2-[(6-chloropyridazin-3-yl)amino]-5,6-dimethoxy-4-(4-piperidyl)-3-propyl-benzamide Formula: C21H28ClN5O3 MolecularWeight: 433.93172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1NC2=NN=C(C=C2)Cl)C(=O)N)OC)OC)C3CCNCC3

Isomeric SMILES

CCCC1=C(C(=C(C(=C1NC2=NN=C(C=C2)Cl)C(=O)N)OC)OC)C3CCNCC3

InChI

InChI=1S/C21H28ClN5O3/c1-4-5-13-16(12-8-10-24-11-9-12)19(29-2)20(30-3)17(21(23)28)18(13)25-15-7-6-14(22)26-27-15/h6-7,12,24H,4-5,8-11H2,1-3H3,(H2,23,28)(H,25,27)