N-(3-azanylpropyl)-N-[[3-[3-(1,3-benzodioxol-5-ylcarbonylamino)-4-pyrrolidin-1-yl-phenyl]phenyl]methyl]morpholine-4-carboxamide

Systemtic Name: N-(3-azanylpropyl)-N-[[3-[3-(1,3-benzodioxol-5-ylcarbonylamino)-4-pyrrolidin-1-yl-phenyl]phenyl]methyl]morpholine-4-carboxamide Openeye Name: N-(3-aminopropyl)-N-[[3-[3-(1,3-benzodioxole-5-carbonylamino)-4-pyrrolidin-1-yl-phenyl]phenyl]methyl]morpholine-4-carboxamide CAS Name: N-(3-aminopropyl)-N-[[3-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-4-(1-pyrrolidinyl)phenyl]phenyl]methyl]-4-morpholinecarboxamide IUPAC Name: N-(3-aminopropyl)-N-[[3-[3-(1,3-benzodioxole-5-carbonylamino)-4-pyrrolidin-1-ylphenyl]phenyl]methyl]morpholine-4-carboxamide Traditional Name: N-(3-aminopropyl)-N-[3-[3-(piperonyloylamino)-4-pyrrolidino-phenyl]benzyl]morpholine-4-carboxamide Formula: C33H39N5O5 MolecularWeight: 585.69326

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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)N4CCOCC4)NC(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C3=CC(=CC=C3)CN(CCCN)C(=O)N4CCOCC4)NC(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C33H39N5O5/c34-11-4-14-38(33(40)37-15-17-41-18-16-37)22-24-5-3-6-25(19-24)26-7-9-29(36-12-1-2-13-36)28(20-26)35-32(39)27-8-10-30-31(21-27)43-23-42-30/h3,5-10,19-21H,1-2,4,11-18,22-23,34H2,(H,35,39)