1-chloranyl-8,8-dimethyl-4-oxidanylidene-3-(phenethylamino)-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid

Systemtic Name: 1-chloranyl-8,8-dimethyl-4-oxidanylidene-3-(phenethylamino)-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Openeye Name: 1-chloro-8,8-dimethyl-4-oxo-3-(phenethylamino)-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid CAS Name: 1-chloro-8,8-dimethyl-4-oxo-3-(phenethylamino)-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid IUPAC Name: 1-chloro-8,8-dimethyl-4-oxo-3-(phenethylamino)-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Traditional Name: 1-chloro-4-keto-8,8-dimethyl-3-(phenethylamino)-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N2C1=C(N=C(C2=O)NCCC3=CC=CC=C3)Cl)C(=O)O)C

Isomeric SMILES

CC1(CC(N2C1=C(N=C(C2=O)NCCC3=CC=CC=C3)Cl)C(=O)O)C

InChI

InChI=1S/C18H20ClN3O3/c1-18(2)10-12(17(24)25)22-13(18)14(19)21-15(16(22)23)20-9-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,20,21)(H,24,25)