N-butyl-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-butyl-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-N-butyl-1,3-benzodioxole-5-carboxamide CAS Name: N-butyl-N-[2-[(1-methyl-2-pyrrolyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-N-butyl-piperonylamide Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H31N3O4/c1-3-4-15-29(27(32)22-12-13-24-25(16-22)34-20-33-24)19-26(31)30(17-21-9-6-5-7-10-21)18-23-11-8-14-28(23)2/h5-14,16H,3-4,15,17-20H2,1-2H3