N-[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[oxo-(1-phenylethylamino)methyl]-4-(1-pyrrolidinyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-(1-phenylethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-(1-phenylethylcarbamoyl)-4-pyrrolidino-phenyl]-piperonylamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCCC5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N5CCCC5

InChI

InChI=1S/C27H27N3O4/c1-18(19-7-3-2-4-8-19)28-27(32)22-16-21(10-11-23(22)30-13-5-6-14-30)29-26(31)20-9-12-24-25(15-20)34-17-33-24/h2-4,7-12,15-16,18H,5-6,13-14,17H2,1H3,(H,28,32)(H,29,31)