4-[2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl]-1-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide hydrochloride

Systemtic Name: 4-[2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl]-1-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide hydrochloride Openeye Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-[2-(2,6-dichloroanilino)-2-oxo-ethyl]piperazine-2-carboxamide hydrochloride CAS Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-piperazinecarboxamide hydrochloride IUPAC Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide hydrochloride Traditional Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-[2-(2,6-dichloroanilino)-2-keto-ethyl]piperazine-2-carboxamide hydrochloride Formula: C29H31Cl3F2N4O2 MolecularWeight: 611.937846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC(=O)NC2=C(C=CC=C2Cl)Cl)C(=O)N)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl

Isomeric SMILES

C1CN(C(CN1CC(=O)NC2=C(C=CC=C2Cl)Cl)C(=O)N)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C29H30Cl2F2N4O2.ClH/c30-24-4-1-5-25(31)28(24)35-27(38)18-36-15-16-37(26(17-36)29(34)39)14-2-3-23(19-6-10-21(32)11-7-19)20-8-12-22(33)13-9-20;/h1,4-13,23,26H,2-3,14-18H2,(H2,34,39)(H,35,38);1H