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

Systemtic Name: N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-N-isopropyl-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[(1-methyl-2-pyrrolyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-yl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-N-isopropyl-piperonylamide Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4/c1-19(2)29(26(31)21-11-12-23-24(14-21)33-18-32-23)17-25(30)28(15-20-8-5-4-6-9-20)16-22-10-7-13-27(22)3/h4-14,19H,15-18H2,1-3H3