2-methyl-5-oxidanyl-N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-indole-3-carboxamide hydrate

Systemtic Name: 2-methyl-5-oxidanyl-N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-indole-3-carboxamide hydrate Openeye Name: 5-hydroxy-2-methyl-N-[1-(2-phenoxyethyl)-4-piperidyl]-1H-indole-3-carboxamide hydrate CAS Name: 5-hydroxy-2-methyl-N-[1-(2-phenoxyethyl)-4-piperidinyl]-1H-indole-3-carboxamide hydrate IUPAC Name: 5-hydroxy-2-methyl-N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-indole-3-carboxamide hydrate Traditional Name: 5-hydroxy-2-methyl-N-[1-(2-phenoxyethyl)-4-piperidyl]-1H-indole-3-carboxamide hydrate Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)O)C(=O)NC3CCN(CC3)CCOC4=CC=CC=C4.O

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)O)C(=O)NC3CCN(CC3)CCOC4=CC=CC=C4.O

InChI

InChI=1S/C23H27N3O3.H2O/c1-16-22(20-15-18(27)7-8-21(20)24-16)23(28)25-17-9-11-26(12-10-17)13-14-29-19-5-3-2-4-6-19;/h2-8,15,17,24,27H,9-14H2,1H3,(H,25,28);1H2