N-[1-[(3-methoxy-1-benzofuran-7-yl)carbonyl-piperidin-4-yl-amino]ethyl]-2-methyl-pyrrolidine-1-carboxamide hydrate

Systemtic Name: N-[1-[(3-methoxy-1-benzofuran-7-yl)carbonyl-piperidin-4-yl-amino]ethyl]-2-methyl-pyrrolidine-1-carboxamide hydrate Openeye Name: N-[1-[(3-methoxybenzofuran-7-carbonyl)-(4-piperidyl)amino]ethyl]-2-methyl-pyrrolidine-1-carboxamide hydrate CAS Name: N-[1-[[(3-methoxy-7-benzofuranyl)-oxomethyl]-(4-piperidinyl)amino]ethyl]-2-methyl-1-pyrrolidinecarboxamide hydrate IUPAC Name: N-[1-[(3-methoxy-1-benzofuran-7-carbonyl)-piperidin-4-ylamino]ethyl]-2-methylpyrrolidine-1-carboxamide hydrate Traditional Name: N-[1-[(3-methoxybenzofuran-7-carbonyl)-(4-piperidyl)amino]ethyl]-2-methyl-pyrrolidine-1-carboxamide hydrate Formula: C23H34N4O5 MolecularWeight: 446.53986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1C(=O)NC(C)N(C2CCNCC2)C(=O)C3=CC=CC4=C3OC=C4OC.O

Isomeric SMILES

CC1CCCN1C(=O)NC(C)N(C2CCNCC2)C(=O)C3=CC=CC4=C3OC=C4OC.O

InChI

InChI=1S/C23H32N4O4.H2O/c1-15-6-5-13-26(15)23(29)25-16(2)27(17-9-11-24-12-10-17)22(28)19-8-4-7-18-20(30-3)14-31-21(18)19;/h4,7-8,14-17,24H,5-6,9-13H2,1-3H3,(H,25,29);1H2