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

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[3-methoxy-1-(4-oxidanylidene-4-pyrrolidin-1-yl-butyl)piperidin-4-yl]benzamide hydrate Openeye Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(4-oxo-4-pyrrolidin-1-yl-butyl)-4-piperidyl]benzamide hydrate CAS Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-[4-oxo-4-(1-pyrrolidinyl)butyl]-4-piperidinyl]benzamide hydrate IUPAC Name: 4-amino-5-chloro-2-methoxy-N-[3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide hydrate Traditional Name: 4-amino-5-chloro-N-[1-(4-keto-4-pyrrolidino-butyl)-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate Formula: C22H35ClN4O5 MolecularWeight: 470.9901

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCC(=O)N3CCCC3.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCC(=O)N3CCCC3.O

InChI

InChI=1S/C22H33ClN4O4.H2O/c1-30-19-13-17(24)16(23)12-15(19)22(29)25-18-7-11-26(14-20(18)31-2)8-5-6-21(28)27-9-3-4-10-27;/h12-13,18,20H,3-11,14,24H2,1-2H3,(H,25,29);1H2