2-methyl-N-octyl-5-oxidanyl-1-(phenylmethyl)-4-(piperidin-1-ylmethyl)-6-propanoyl-indole-3-carboxamide hydrate hydrochloride

Systemtic Name: 2-methyl-N-octyl-5-oxidanyl-1-(phenylmethyl)-4-(piperidin-1-ylmethyl)-6-propanoyl-indole-3-carboxamide hydrate hydrochloride Openeye Name: 1-benzyl-5-hydroxy-2-methyl-N-octyl-4-(1-piperidylmethyl)-6-propanoyl-indole-3-carboxamide hydrate hydrochloride CAS Name: 5-hydroxy-2-methyl-N-octyl-6-(1-oxopropyl)-1-(phenylmethyl)-4-(1-piperidinylmethyl)-3-indolecarboxamide hydrate hydrochloride IUPAC Name: 1-benzyl-5-hydroxy-2-methyl-N-octyl-4-(piperidin-1-ylmethyl)-6-propanoylindole-3-carboxamide hydrate hydrochloride Traditional Name: 1-benzyl-5-hydroxy-2-methyl-N-octyl-4-(piperidinomethyl)-6-propionyl-indole-3-carboxamide hydrate hydrochloride Formula: C34H50ClN3O4 MolecularWeight: 600.2315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=C(N(C2=C1C(=C(C(=C2)C(=O)CC)O)CN3CCCCC3)CC4=CC=CC=C4)C.O.Cl

Isomeric SMILES

CCCCCCCCNC(=O)C1=C(N(C2=C1C(=C(C(=C2)C(=O)CC)O)CN3CCCCC3)CC4=CC=CC=C4)C.O.Cl

InChI

InChI=1S/C34H47N3O3.ClH.H2O/c1-4-6-7-8-9-14-19-35-34(40)31-25(3)37(23-26-17-12-10-13-18-26)29-22-27(30(38)5-2)33(39)28(32(29)31)24-36-20-15-11-16-21-36;;/h10,12-13,17-18,22,39H,4-9,11,14-16,19-21,23-24H2,1-3H3,(H,35,40);1H;1H2