2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-5-(4-imidazol-1-yl-4-oxidanylidene-butoxy)-3H-inden-1-one

Systemtic Name: 2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-5-(4-imidazol-1-yl-4-oxidanylidene-butoxy)-3H-inden-1-one Openeye Name: 2-butyl-6,7-dichloro-2-cyclopentyl-5-(4-imidazol-1-yl-4-oxo-butoxy)indan-1-one CAS Name: 2-butyl-6,7-dichloro-2-cyclopentyl-5-[4-(1-imidazolyl)-4-oxobutoxy]-3H-inden-1-one IUPAC Name: 2-butyl-6,7-dichloro-2-cyclopentyl-5-(4-imidazol-1-yl-4-oxobutoxy)-3H-inden-1-one Traditional Name: 2-butyl-6,7-dichloro-2-cyclopentyl-5-(4-imidazol-1-yl-4-keto-butoxy)indan-1-one Formula: C25H30Cl2N2O3 MolecularWeight: 477.4233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC(=O)N3C=CN=C3)C4CCCC4

Isomeric SMILES

CCCCC1(CC2=CC(=C(C(=C2C1=O)Cl)Cl)OCCCC(=O)N3C=CN=C3)C4CCCC4

InChI

InChI=1S/C25H30Cl2N2O3/c1-2-3-10-25(18-7-4-5-8-18)15-17-14-19(22(26)23(27)21(17)24(25)31)32-13-6-9-20(30)29-12-11-28-16-29/h11-12,14,16,18H,2-10,13,15H2,1H3