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

Systemtic Name: 4-[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]-2-methoxy-propoxy]-3-propyl-benzenecarbonitrile Openeye Name: 4-[3-[(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)amino]-2-methoxy-propoxy]-3-propyl-benzonitrile CAS Name: 4-[3-[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]-2-methoxypropoxy]-3-propylbenzonitrile IUPAC Name: 4-[3-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-methoxypropoxy]-3-propylbenzonitrile Traditional Name: 4-[3-[(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)amino]-2-methoxy-propoxy]-3-propyl-benzonitrile Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O3/c1-5-6-16-9-15(10-23)7-8-19(16)29-13-17(28-4)11-24-18-12-25-26(14(2)3)21(27)20(18)22/h7-9,12,14,17,24H,5-6,11,13H2,1-4H3