[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H24N4O3/c1-15-12-22-18(13-21-15)20(26)27-14-19(25)23-16-6-8-17(9-7-16)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,25)