2-methyl-5-oxidanyl-1-phenyl-N-[1-(3-phenylpropyl)piperidin-4-yl]indole-3-carboxamide hydrate hydrochloride

Systemtic Name: 2-methyl-5-oxidanyl-1-phenyl-N-[1-(3-phenylpropyl)piperidin-4-yl]indole-3-carboxamide hydrate hydrochloride Openeye Name: 5-hydroxy-2-methyl-1-phenyl-N-[1-(3-phenylpropyl)-4-piperidyl]indole-3-carboxamide hydrate hydrochloride CAS Name: 5-hydroxy-2-methyl-1-phenyl-N-[1-(3-phenylpropyl)-4-piperidinyl]-3-indolecarboxamide hydrate hydrochloride IUPAC Name: 5-hydroxy-2-methyl-1-phenyl-N-[1-(3-phenylpropyl)piperidin-4-yl]indole-3-carboxamide hydrate hydrochloride Traditional Name: 5-hydroxy-2-methyl-1-phenyl-N-[1-(3-phenylpropyl)-4-piperidyl]indole-3-carboxamide hydrate hydrochloride Formula: C30H36ClN3O3 MolecularWeight: 522.07814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)O)C(=O)NC4CCN(CC4)CCCC5=CC=CC=C5.O.Cl

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)O)C(=O)NC4CCN(CC4)CCCC5=CC=CC=C5.O.Cl

InChI

InChI=1S/C30H33N3O2.ClH.H2O/c1-22-29(27-21-26(34)14-15-28(27)33(22)25-12-6-3-7-13-25)30(35)31-24-16-19-32(20-17-24)18-8-11-23-9-4-2-5-10-23;;/h2-7,9-10,12-15,21,24,34H,8,11,16-20H2,1H3,(H,31,35);1H;1H2