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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-5-phenyl-1H-pyrrole-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxo-ethyl]-5-phenyl-1H-pyrrole-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-5-phenyl-1H-pyrrole-2-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-5-phenyl-1H-pyrrole-2-carboxamide Traditional Name: N-[2-(cyclopentylamino)-2-keto-ethyl]-5-phenyl-N-piperonyl-1H-pyrrole-2-carboxamide Formula: C26H27N3O4 MolecularWeight: 445.51028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(N4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O4/c30-25(27-20-8-4-5-9-20)16-29(15-18-10-13-23-24(14-18)33-17-32-23)26(31)22-12-11-21(28-22)19-6-2-1-3-7-19/h1-3,6-7,10-14,20,28H,4-5,8-9,15-17H2,(H,27,30)