4-azanyl-N-[1-(1,3-benzodioxol-5-ylmethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: 4-azanyl-N-[1-(1,3-benzodioxol-5-ylmethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: 4-amino-N-[2-(1,3-benzodioxol-5-ylmethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]butanamide CAS Name: 4-amino-N-[1-(1,3-benzodioxol-5-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanamide IUPAC Name: 4-amino-N-[1-(1,3-benzodioxol-5-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]butanamide Traditional Name: 4-amino-N-[1-(1H-indol-3-ylmethyl)-2-keto-2-(piperonylamino)ethyl]butyramide Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)CCCN

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)CCCN

InChI

InChI=1S/C23H26N4O4/c24-9-3-6-22(28)27-19(11-16-13-25-18-5-2-1-4-17(16)18)23(29)26-12-15-7-8-20-21(10-15)31-14-30-20/h1-2,4-5,7-8,10,13,19,25H,3,6,9,11-12,14,24H2,(H,26,29)(H,27,28)