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

Systemtic Name: N-(3-azanylpropyl)-N-[[3-[3-[(4-cyanophenyl)carbonylamino]-4-pyrrolidin-1-yl-phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-(3-aminopropyl)-N-[[3-[3-[(4-cyanobenzoyl)amino]-4-pyrrolidin-1-yl-phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(3-aminopropyl)-N-[[3-[3-[[(4-cyanophenyl)-oxomethyl]amino]-4-(1-pyrrolidinyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3-aminopropyl)-N-[[3-[3-[(4-cyanobenzoyl)amino]-4-pyrrolidin-1-ylphenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-(3-aminopropyl)-N-[3-[3-[(4-cyanobenzoyl)amino]-4-pyrrolidino-phenyl]benzyl]-piperonylamide Formula: C36H35N5O4 MolecularWeight: 601.6942

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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=C(C=C6)C#N

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=C(C=C6)C#N

InChI

InChI=1S/C36H35N5O4/c37-15-4-18-41(36(43)30-12-14-33-34(21-30)45-24-44-33)23-26-5-3-6-28(19-26)29-11-13-32(40-16-1-2-17-40)31(20-29)39-35(42)27-9-7-25(22-38)8-10-27/h3,5-14,19-21H,1-2,4,15-18,23-24,37H2,(H,39,42)