3-bromanyl-N-(2-cyanoethyl)-4-(oxolan-2-ylmethoxy)-N-(phenylmethyl)benzamide

Systemtic Name: 3-bromanyl-N-(2-cyanoethyl)-4-(oxolan-2-ylmethoxy)-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-bromo-N-(2-cyanoethyl)-4-(tetrahydrofuran-2-ylmethoxy)benzamide CAS Name: 3-bromo-N-(2-cyanoethyl)-4-(2-oxolanylmethoxy)-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-bromo-N-(2-cyanoethyl)-4-(oxolan-2-ylmethoxy)benzamide Traditional Name: N-benzyl-3-bromo-N-(2-cyanoethyl)-4-(tetrahydrofurfuryloxy)benzamide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=C(C=C(C=C2)C(=O)N(CCC#N)CC3=CC=CC=C3)Br

Isomeric SMILES

C1CC(OC1)COC2=C(C=C(C=C2)C(=O)N(CCC#N)CC3=CC=CC=C3)Br

InChI

InChI=1S/C22H23BrN2O3/c23-20-14-18(9-10-21(20)28-16-19-8-4-13-27-19)22(26)25(12-5-11-24)15-17-6-2-1-3-7-17/h1-3,6-7,9-10,14,19H,4-5,8,12-13,15-16H2