N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-propyl-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxidanylidene-ethyl]-N-propyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-amino]-2-oxo-ethyl]-N-propyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-cyclohexylamino]-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-cyclohexyl-amino]-2-keto-ethyl]-N-propyl-piperonylamide Formula: C31H36BrN3O4 MolecularWeight: 594.53924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC=CN1CC2=CC=C(C=C2)Br)C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C31H36BrN3O4/c1-2-16-34(31(37)24-12-15-28-29(18-24)39-22-38-28)21-30(36)35(26-7-4-3-5-8-26)20-27-9-6-17-33(27)19-23-10-13-25(32)14-11-23/h6,9-15,17-18,26H,2-5,7-8,16,19-22H2,1H3