4-[4-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[4-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-(2-chloro-4-fluoro-benzyl)piperazino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C23H25ClFN3O3 MolecularWeight: 445.914303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C23H25ClFN3O3/c1-30-22-13-17(15-26)4-7-21(22)31-12-2-3-23(29)28-10-8-27(9-11-28)16-18-5-6-19(25)14-20(18)24/h4-7,13-14H,2-3,8-12,16H2,1H3