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

Systemtic Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxidanylidene-ethyl]-N-pentyl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butyl-amino]-2-oxo-ethyl]-N-pentyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[1-[(4-bromophenyl)methyl]-2-pyrrolyl]methyl-butylamino]-2-oxoethyl]-N-pentyl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-butylamino]-2-oxoethyl]-N-pentyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-amyl-N-[2-[[1-(4-bromobenzyl)pyrrol-2-yl]methyl-butyl-amino]-2-keto-ethyl]-piperonylamide Formula: C31H38BrN3O4 MolecularWeight: 596.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)N(CCCC)CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCN(CC(=O)N(CCCC)CC1=CC=CN1CC2=CC=C(C=C2)Br)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C31H38BrN3O4/c1-3-5-7-17-35(31(37)25-12-15-28-29(19-25)39-23-38-28)22-30(36)34(16-6-4-2)21-27-9-8-18-33(27)20-24-10-13-26(32)14-11-24/h8-15,18-19H,3-7,16-17,20-23H2,1-2H3