N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propanamide

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propanamide Openeye Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propanamide CAS Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[[oxo-(3,4,5-trimethoxyanilino)methyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propanamide Traditional Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)carbamoylamino]propionamide Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC#N

InChI

InChI=1S/C23H25N5O5/c1-31-19-11-15(12-20(32-2)21(19)33-3)27-23(30)28-18(22(29)25-9-8-24)10-14-13-26-17-7-5-4-6-16(14)17/h4-7,11-13,18,26H,9-10H2,1-3H3,(H,25,29)(H2,27,28,30)