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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxidanylidene-ethyl]-N-butyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxo-ethyl]-N-butyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-butylamino]-2-oxoethyl]-N-butyl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-N-butyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-butyl-amino]-2-keto-ethyl]-N-butyl-piperonylamide Formula: C30H36BrN3O4 MolecularWeight: 582.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36BrN3O4/c1-3-5-15-33(20-26-8-7-17-32(26)19-23-9-12-25(31)13-10-23)29(35)21-34(16-6-4-2)30(36)24-11-14-27-28(18-24)38-22-37-27/h7-14,17-18H,3-6,15-16,19-22H2,1-2H3