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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyanophenyl)carbamoyl-propan-2-yl-amino]-N-[(5-methylfuran-2-yl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyanophenyl)carbamoyl-isopropyl-amino]-N-[(5-methyl-2-furyl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-cyanoanilino)-oxomethyl]-propan-2-ylamino]-N-[(5-methyl-2-furanyl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-cyanophenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide Traditional Name: 2-[(3-cyanophenyl)carbamoyl-isopropyl-amino]-N-[(5-methyl-2-furyl)methyl]-N-piperonyl-acetamide Formula: C27H28N4O5 MolecularWeight: 488.53502

Click to see the large picture

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(=C4)C#N

Isomeric SMILES

CC1=CC=C(O1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C(C)C)C(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H28N4O5/c1-18(2)31(27(33)29-22-6-4-5-20(11-22)13-28)16-26(32)30(15-23-9-7-19(3)36-23)14-21-8-10-24-25(12-21)35-17-34-24/h4-12,18H,14-17H2,1-3H3,(H,29,33)