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

Systemtic Name: N-(3-azanylpropyl)-N-[[3-(3-benzamido-4-pyrrolidin-1-yl-phenyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(3-aminopropyl)-N-[[3-(3-benzamido-4-pyrrolidin-1-yl-phenyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(3-aminopropyl)-N-[[3-[3-benzamido-4-(1-pyrrolidinyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3-aminopropyl)-N-[[3-(3-benzamido-4-pyrrolidin-1-ylphenyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-aminopropyl)-N-[3-(3-benzamido-4-pyrrolidino-phenyl)benzyl]-piperonylamide Formula: C35H36N4O4 MolecularWeight: 576.68474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4=CC5=C(C=C4)OCO5)NC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)C4=CC5=C(C=C4)OCO5)NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H36N4O4/c36-16-7-19-39(35(41)29-13-15-32-33(22-29)43-24-42-32)23-25-8-6-11-27(20-25)28-12-14-31(38-17-4-5-18-38)30(21-28)37-34(40)26-9-2-1-3-10-26/h1-3,6,8-15,20-22H,4-5,7,16-19,23-24,36H2,(H,37,40)