N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(1H-indol-3-yl)prop-2-enamide

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(1H-indol-3-yl)prop-2-enamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-(hydroxymethyl)-2-oxo-ethyl]-3-(1H-indol-3-yl)prop-2-enamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-hydroxy-1-oxopropan-2-yl]-3-(1H-indol-3-yl)-2-propenamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-3-(1H-indol-3-yl)prop-2-enamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methylol-ethyl]-3-(1H-indol-3-yl)acrylamide Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CO)NC(=O)C=CC2=CNC3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CO)NC(=O)C=CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H25N3O3/c24-14-18(20(26)23-11-5-1-2-6-12-23)22-19(25)10-9-15-13-21-17-8-4-3-7-16(15)17/h3-4,7-10,13,18,21,24H,1-2,5-6,11-12,14H2,(H,22,25)/t18-/m0/s1