N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-propan-2-yl-amino]-N-[(5-methylfuran-2-yl)methyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-propan-2-yl-amino]-N-[(5-methylfuran-2-yl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-isopropyl-amino]-N-[(5-methyl-2-furyl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-cyanoanilino)-oxomethyl]-propan-2-ylamino]-N-[(5-methyl-2-furanyl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-cyanophenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide Traditional Name: 2-[(4-cyanophenyl)carbamoyl-isopropyl-amino]-N-[(5-methyl-2-furyl)methyl]-N-piperonyl-acetamide Formula: C27H28N4O5 MolecularWeight: 488.53502

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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=C(C=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=C(C=C4)C#N

InChI

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