N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-bromophenyl)carbamoyl-propan-2-yl-amino]-N-[(5-methylfuran-2-yl)methyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-bromophenyl)carbamoyl-propan-2-yl-amino]-N-[(5-methylfuran-2-yl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-bromophenyl)carbamoyl-isopropyl-amino]-N-[(5-methyl-2-furyl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2-bromoanilino)-oxomethyl]-propan-2-ylamino]-N-[(5-methyl-2-furanyl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-bromophenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide Traditional Name: 2-[(2-bromophenyl)carbamoyl-isopropyl-amino]-N-[(5-methyl-2-furyl)methyl]-N-piperonyl-acetamide Formula: C26H28BrN3O5 MolecularWeight: 542.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C(C)C)C(=O)NC4=CC=CC=C4Br

Isomeric SMILES

CC1=CC=C(O1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C(C)C)C(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C26H28BrN3O5/c1-17(2)30(26(32)28-22-7-5-4-6-21(22)27)15-25(31)29(14-20-10-8-18(3)35-20)13-19-9-11-23-24(12-19)34-16-33-23/h4-12,17H,13-16H2,1-3H3,(H,28,32)