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

Systemtic Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide Openeye Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide CAS Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[[oxo-(4-phenoxyanilino)methyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide Traditional Name: N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propionamide Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC#N

InChI

InChI=1S/C26H23N5O3/c27-14-15-28-25(32)24(16-18-17-29-23-9-5-4-8-22(18)23)31-26(33)30-19-10-12-21(13-11-19)34-20-6-2-1-3-7-20/h1-13,17,24,29H,15-16H2,(H,28,32)(H2,30,31,33)