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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-5-phenyl-1H-pyrrole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-ethyl]-5-phenyl-1H-pyrrole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-5-phenyl-1H-pyrrole-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-5-phenyl-1H-pyrrole-2-carboxamide Traditional Name: N-[2-(cyclohexylamino)-2-keto-ethyl]-5-phenyl-N-piperonyl-1H-pyrrole-2-carboxamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(N4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O4/c31-26(28-21-9-5-2-6-10-21)17-30(16-19-11-14-24-25(15-19)34-18-33-24)27(32)23-13-12-22(29-23)20-7-3-1-4-8-20/h1,3-4,7-8,11-15,21,29H,2,5-6,9-10,16-18H2,(H,28,31)