5-oxidanyl-2-pentyl-N-(1-phenethylpiperidin-4-yl)-1-(phenylmethyl)indole-3-carboxamide hydrate hydrochloride

Systemtic Name: 5-oxidanyl-2-pentyl-N-(1-phenethylpiperidin-4-yl)-1-(phenylmethyl)indole-3-carboxamide hydrate hydrochloride Openeye Name: 1-benzyl-5-hydroxy-2-pentyl-N-(1-phenethyl-4-piperidyl)indole-3-carboxamide hydrate hydrochloride CAS Name: 5-hydroxy-2-pentyl-N-(1-phenethyl-4-piperidinyl)-1-(phenylmethyl)-3-indolecarboxamide hydrate hydrochloride IUPAC Name: 1-benzyl-5-hydroxy-2-pentyl-N-(1-phenethylpiperidin-4-yl)indole-3-carboxamide hydrate hydrochloride Traditional Name: 2-amyl-1-benzyl-5-hydroxy-N-(1-phenethyl-4-piperidyl)indole-3-carboxamide hydrate hydrochloride Formula: C34H44ClN3O3 MolecularWeight: 578.18446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)O)C(=O)NC4CCN(CC4)CCC5=CC=CC=C5.O.Cl

Isomeric SMILES

CCCCCC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)O)C(=O)NC4CCN(CC4)CCC5=CC=CC=C5.O.Cl

InChI

InChI=1S/C34H41N3O2.ClH.H2O/c1-2-3-6-15-32-33(30-24-29(38)16-17-31(30)37(32)25-27-13-9-5-10-14-27)34(39)35-28-19-22-36(23-20-28)21-18-26-11-7-4-8-12-26;;/h4-5,7-14,16-17,24,28,38H,2-3,6,15,18-23,25H2,1H3,(H,35,39);1H;1H2