2-[4-bromanyl-5-(4-methoxyphenyl)carbonyl-1-propan-2-yl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[4-bromanyl-5-(4-methoxyphenyl)carbonyl-1-propan-2-yl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[4-bromo-1-isopropyl-5-(4-methoxybenzoyl)pyrrol-2-yl]acetonitrile CAS Name: 2-[4-bromo-5-[(4-methoxyphenyl)-oxomethyl]-1-propan-2-yl-2-pyrrolyl]acetonitrile IUPAC Name: 2-[4-bromo-5-(4-methoxybenzoyl)-1-propan-2-ylpyrrol-2-yl]acetonitrile Traditional Name: 2-(4-bromo-1-isopropyl-5-p-anisoyl-pyrrol-2-yl)acetonitrile Formula: C17H17BrN2O2 MolecularWeight: 361.23308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC(=C1C(=O)C2=CC=C(C=C2)OC)Br)CC#N

Isomeric SMILES

CC(C)N1C(=CC(=C1C(=O)C2=CC=C(C=C2)OC)Br)CC#N

InChI

InChI=1S/C17H17BrN2O2/c1-11(2)20-13(8-9-19)10-15(18)16(20)17(21)12-4-6-14(22-3)7-5-12/h4-7,10-11H,8H2,1-3H3