4-azanyl-5-chloranyl-N-[1-[4-(4-fluorophenyl)butyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-[4-(4-fluorophenyl)butyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate Openeye Name: 4-amino-5-chloro-N-[1-[4-(4-fluorophenyl)butyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate CAS Name: 4-amino-5-chloro-N-[1-[4-(4-fluorophenyl)butyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide hydrate IUPAC Name: 4-amino-5-chloro-N-[1-[4-(4-fluorophenyl)butyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide hydrate Traditional Name: 4-amino-5-chloro-N-[1-[4-(4-fluorophenyl)butyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate Formula: C24H33ClFN3O4 MolecularWeight: 481.987923

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCCC3=CC=C(C=C3)F.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCCC3=CC=C(C=C3)F.O

InChI

InChI=1S/C24H31ClFN3O3.H2O/c1-31-22-14-20(27)19(25)13-18(22)24(30)28-21-10-12-29(15-23(21)32-2)11-4-3-5-16-6-8-17(26)9-7-16;/h6-9,13-14,21,23H,3-5,10-12,15,27H2,1-2H3,(H,28,30);1H2