N-(1,3-benzodioxol-5-ylmethyl)-2-[butyl-[(phenylmethyl)carbamoyl]amino]-N-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[butyl-[(phenylmethyl)carbamoyl]amino]-N-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[benzylcarbamoyl(butyl)amino]-N-[(6-chloro-4-oxo-chromen-3-yl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[butyl-[oxo-[(phenylmethyl)amino]methyl]amino]-N-[(6-chloro-4-oxo-1-benzopyran-3-yl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[benzylcarbamoyl(butyl)amino]-N-[(6-chloro-4-oxochromen-3-yl)methyl]acetamide Traditional Name: 2-[benzylcarbamoyl(butyl)amino]-N-[(6-chloro-4-keto-chromen-3-yl)methyl]-N-piperonyl-acetamide Formula: C32H32ClN3O6 MolecularWeight: 590.06598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=COC4=C(C3=O)C=C(C=C4)Cl)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C32H32ClN3O6/c1-2-3-13-35(32(39)34-16-22-7-5-4-6-8-22)19-30(37)36(17-23-9-11-28-29(14-23)42-21-41-28)18-24-20-40-27-12-10-25(33)15-26(27)31(24)38/h4-12,14-15,20H,2-3,13,16-19,21H2,1H3,(H,34,39)