4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]-2-oxidanyl-propoxy]-3-propyl-benzenecarbonitrile

Systemtic Name: 4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]-2-oxidanyl-propoxy]-3-propyl-benzenecarbonitrile Openeye Name: 4-[3-[(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)amino]-2-hydroxy-propoxy]-3-propyl-benzonitrile CAS Name: 4-[3-[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]-2-hydroxypropoxy]-3-propylbenzonitrile IUPAC Name: 4-[3-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-hydroxypropoxy]-3-propylbenzonitrile Traditional Name: 4-[3-[(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)amino]-2-hydroxy-propoxy]-3-propyl-benzonitrile Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C#N)OCC(CNC2=C(C(=O)N(N=C2)C(C)C)Cl)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C#N)OCC(CNC2=C(C(=O)N(N=C2)C(C)C)Cl)O

InChI

InChI=1S/C20H25ClN4O3/c1-4-5-15-8-14(9-22)6-7-18(15)28-12-16(26)10-23-17-11-24-25(13(2)3)20(27)19(17)21/h6-8,11,13,16,23,26H,4-5,10,12H2,1-3H3