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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxidanylidene-ethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxo-ethyl]-N-isopropyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-butylamino]-2-oxoethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-butyl-amino]-2-keto-ethyl]-N-isopropyl-piperonylamide Formula: C29H34BrN3O4 MolecularWeight: 568.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(C(C)C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)CN(C(C)C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C29H34BrN3O4/c1-4-5-14-32(18-25-7-6-15-31(25)17-22-8-11-24(30)12-9-22)28(34)19-33(21(2)3)29(35)23-10-13-26-27(16-23)37-20-36-26/h6-13,15-16,21H,4-5,14,17-20H2,1-3H3