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

Systemtic Name: 1-chloranyl-8,8-diethyl-4-oxidanylidene-3-(3-phenylpropylamino)-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Openeye Name: 1-chloro-8,8-diethyl-4-oxo-3-(3-phenylpropylamino)-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid CAS Name: 1-chloro-8,8-diethyl-4-oxo-3-(3-phenylpropylamino)-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid IUPAC Name: 1-chloro-8,8-diethyl-4-oxo-3-(3-phenylpropylamino)-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Traditional Name: 1-chloro-8,8-diethyl-4-keto-3-(3-phenylpropylamino)-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxylic acid Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(N2C1=C(N=C(C2=O)NCCCC3=CC=CC=C3)Cl)C(=O)O)CC

Isomeric SMILES

CCC1(CC(N2C1=C(N=C(C2=O)NCCCC3=CC=CC=C3)Cl)C(=O)O)CC

InChI

InChI=1S/C21H26ClN3O3/c1-3-21(4-2)13-15(20(27)28)25-16(21)17(22)24-18(19(25)26)23-12-8-11-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,23,24)(H,27,28)