6-bromanyl-2-methyl-5-oxidanyl-N-(1-phenethylpiperidin-4-yl)-1H-indole-3-carboxamide hydrate

Systemtic Name: 6-bromanyl-2-methyl-5-oxidanyl-N-(1-phenethylpiperidin-4-yl)-1H-indole-3-carboxamide hydrate Openeye Name: 6-bromo-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidyl)-1H-indole-3-carboxamide hydrate CAS Name: 6-bromo-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidinyl)-1H-indole-3-carboxamide hydrate IUPAC Name: 6-bromo-5-hydroxy-2-methyl-N-(1-phenethylpiperidin-4-yl)-1H-indole-3-carboxamide hydrate Traditional Name: 6-bromo-5-hydroxy-2-methyl-N-(1-phenethyl-4-piperidyl)-1H-indole-3-carboxamide hydrate Formula: C23H28BrN3O3 MolecularWeight: 474.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1)Br)O)C(=O)NC3CCN(CC3)CCC4=CC=CC=C4.O

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1)Br)O)C(=O)NC3CCN(CC3)CCC4=CC=CC=C4.O

InChI

InChI=1S/C23H26BrN3O2.H2O/c1-15-22(18-13-21(28)19(24)14-20(18)25-15)23(29)26-17-8-11-27(12-9-17)10-7-16-5-3-2-4-6-16;/h2-6,13-14,17,25,28H,7-12H2,1H3,(H,26,29);1H2