2-(1,3-benzodioxol-5-ylmethylamino)-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide Traditional Name: 3-(1H-indol-3-yl)-N-(1-phenylethyl)-2-(piperonylamino)propionamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27N3O3/c1-18(20-7-3-2-4-8-20)30-27(31)24(14-21-16-29-23-10-6-5-9-22(21)23)28-15-19-11-12-25-26(13-19)33-17-32-25/h2-13,16,18,24,28-29H,14-15,17H2,1H3,(H,30,31)