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

Systemtic Name: N-(cyanomethyl)-2-[(4-cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)propanamide Openeye Name: N-(cyanomethyl)-2-[(4-cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)propanamide CAS Name: 2-[[(4-cyanoanilino)-oxomethyl]amino]-N-(cyanomethyl)-3-(1H-indol-3-yl)propanamide IUPAC Name: N-(cyanomethyl)-2-[(4-cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)propanamide Traditional Name: N-(cyanomethyl)-2-[(4-cyanophenyl)carbamoylamino]-3-(1H-indol-3-yl)propionamide Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC#N)NC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC#N)NC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N6O2/c22-9-10-24-20(28)19(11-15-13-25-18-4-2-1-3-17(15)18)27-21(29)26-16-7-5-14(12-23)6-8-16/h1-8,13,19,25H,10-11H2,(H,24,28)(H2,26,27,29)