4-[3-[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)amino]propoxy]-3-propyl-benzenecarbonitrile

Systemtic Name: 4-[3-[(1-tert-butyl-5-chloranyl-6-oxidanylidene-pyridazin-4-yl)amino]propoxy]-3-propyl-benzenecarbonitrile Openeye Name: 4-[3-[(1-tert-butyl-5-chloro-6-oxo-pyridazin-4-yl)amino]propoxy]-3-propyl-benzonitrile CAS Name: 4-[3-[(1-tert-butyl-5-chloro-6-oxo-4-pyridazinyl)amino]propoxy]-3-propylbenzonitrile IUPAC Name: 4-[3-[(1-tert-butyl-5-chloro-6-oxopyridazin-4-yl)amino]propoxy]-3-propylbenzonitrile Traditional Name: 4-[3-[(1-tert-butyl-5-chloro-6-keto-pyridazin-4-yl)amino]propoxy]-3-propyl-benzonitrile Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C#N)OCCCNC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)C#N)OCCCNC2=C(C(=O)N(N=C2)C(C)(C)C)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-5-7-16-12-15(13-23)8-9-18(16)28-11-6-10-24-17-14-25-26(21(2,3)4)20(27)19(17)22/h8-9,12,14,24H,5-7,10-11H2,1-4H3