methyl 1-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]indole-3-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-(3-oxidanylidenepiperazin-1-yl)ethyl]indole-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]indole-3-carboxylate CAS Name: 1-[2-oxo-2-(3-oxo-1-piperazinyl)ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]indole-3-carboxylate Traditional Name: 1-[2-keto-2-(3-ketopiperazino)ethyl]indole-3-carboxylic acid methyl ester Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCNC(=O)C3

Isomeric SMILES

COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCNC(=O)C3

InChI

InChI=1S/C16H17N3O4/c1-23-16(22)12-8-19(13-5-3-2-4-11(12)13)10-15(21)18-7-6-17-14(20)9-18/h2-5,8H,6-7,9-10H2,1H3,(H,17,20)