4-azanyl-5-chloranyl-N-[1-[4-(4-fluoranyl-2-oxidanyl-phenyl)-4-oxidanylidene-butyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-[4-(4-fluoranyl-2-oxidanyl-phenyl)-4-oxidanylidene-butyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate Openeye Name: 4-amino-5-chloro-N-[1-[4-(4-fluoro-2-hydroxy-phenyl)-4-oxo-butyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate CAS Name: 4-amino-5-chloro-N-[1-[4-(4-fluoro-2-hydroxyphenyl)-4-oxobutyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide hydrate IUPAC Name: 4-amino-5-chloro-N-[1-[4-(4-fluoro-2-hydroxyphenyl)-4-oxobutyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide hydrate Traditional Name: 4-amino-5-chloro-N-[1-[4-(4-fluoro-2-hydroxy-phenyl)-4-keto-butyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate Formula: C24H31ClFN3O6 MolecularWeight: 511.970843

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCC(=O)C3=C(C=C(C=C3)F)O.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCC(=O)C3=C(C=C(C=C3)F)O.O

InChI

InChI=1S/C24H29ClFN3O5.H2O/c1-33-22-12-18(27)17(25)11-16(22)24(32)28-19-7-9-29(13-23(19)34-2)8-3-4-20(30)15-6-5-14(26)10-21(15)31;/h5-6,10-12,19,23,31H,3-4,7-9,13,27H2,1-2H3,(H,28,32);1H2