1-[(4-chlorophenyl)methyl]-2-methyl-5-oxidanyl-N-(1-phenethylpiperidin-4-yl)indole-3-carboxamide hydrate hydrochloride

Systemtic Name: 1-[(4-chlorophenyl)methyl]-2-methyl-5-oxidanyl-N-(1-phenethylpiperidin-4-yl)indole-3-carboxamide hydrate hydrochloride Openeye Name: 1-[(4-chlorophenyl)methyl]-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidyl)indole-3-carboxamide hydrate hydrochloride CAS Name: 1-[(4-chlorophenyl)methyl]-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidinyl)-3-indolecarboxamide hydrate hydrochloride IUPAC Name: 1-[(4-chlorophenyl)methyl]-5-hydroxy-2-methyl-N-(1-phenethylpiperidin-4-yl)indole-3-carboxamide hydrate hydrochloride Traditional Name: 1-(4-chlorobenzyl)-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidyl)indole-3-carboxamide hydrate hydrochloride Formula: C30H35Cl2N3O3 MolecularWeight: 556.5232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)O)C(=O)NC4CCN(CC4)CCC5=CC=CC=C5.O.Cl

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)O)C(=O)NC4CCN(CC4)CCC5=CC=CC=C5.O.Cl

InChI

InChI=1S/C30H32ClN3O2.ClH.H2O/c1-21-29(27-19-26(35)11-12-28(27)34(21)20-23-7-9-24(31)10-8-23)30(36)32-25-14-17-33(18-15-25)16-13-22-5-3-2-4-6-22;;/h2-12,19,25,35H,13-18,20H2,1H3,(H,32,36);1H;1H2