4-azanyl-5-chloranyl-N-[3-methoxy-1-[2-(methylamino)ethyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide hydrate

Systemtic Name: 4-azanyl-5-chloranyl-N-[3-methoxy-1-[2-(methylamino)ethyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide hydrate Openeye Name: 4-amino-5-chloro-N-[3-methoxy-1-[2-(methylamino)ethyl]-4-piperidyl]-2,3-dihydrobenzofuran-7-carboxamide hydrate CAS Name: 4-amino-5-chloro-N-[3-methoxy-1-[2-(methylamino)ethyl]-4-piperidinyl]-2,3-dihydrobenzofuran-7-carboxamide hydrate IUPAC Name: 4-amino-5-chloro-N-[3-methoxy-1-[2-(methylamino)ethyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide hydrate Traditional Name: 4-amino-5-chloro-N-[3-methoxy-1-[2-(methylamino)ethyl]-4-piperidyl]coumaran-7-carboxamide hydrate Formula: C18H29ClN4O4 MolecularWeight: 400.90026

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Descriptors Computed from Structure

Canonical SMILES:

CNCCN1CCC(C(C1)OC)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl.O

Isomeric SMILES

CNCCN1CCC(C(C1)OC)NC(=O)C2=CC(=C(C3=C2OCC3)N)Cl.O

InChI

InChI=1S/C18H27ClN4O3.H2O/c1-21-5-7-23-6-3-14(15(10-23)25-2)22-18(24)12-9-13(19)16(20)11-4-8-26-17(11)12;/h9,14-15,21H,3-8,10,20H2,1-2H3,(H,22,24);1H2