N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]-5-phenyl-1H-pyrrole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-5-phenyl-1H-pyrrole-2-carboxamide Traditional Name: N-[2-(cyclohexylamino)-2-keto-1-methyl-ethyl]-5-phenyl-N-piperonyl-1H-pyrrole-2-carboxamide Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(N4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1CCCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O4/c1-19(27(32)29-22-10-6-3-7-11-22)31(17-20-12-15-25-26(16-20)35-18-34-25)28(33)24-14-13-23(30-24)21-8-4-2-5-9-21/h2,4-5,8-9,12-16,19,22,30H,3,6-7,10-11,17-18H2,1H3,(H,29,32)