5-bromanyl-3-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-bromanyl-3-methyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-5-bromo-3-methyl-benzofuran-2-carboxamide CAS Name: 5-bromo-3-methyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-2-benzofurancarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-5-bromo-3-methyl-coumarilamide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)N[C@H]3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21BrN2O2/c1-14-18-11-16(22)7-8-19(18)26-20(14)21(25)23-17-9-10-24(13-17)12-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-13H2,1H3,(H,23,25)/t17-/m0/s1