1-chloranyl-3-(cyclobutylamino)-4-oxidanylidene-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid

Systemtic Name: 1-chloranyl-3-(cyclobutylamino)-4-oxidanylidene-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid Openeye Name: 1-chloro-3-(cyclobutylamino)-4-oxo-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid CAS Name: 1-chloro-3-(cyclobutylamino)-4-oxo-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid IUPAC Name: 1-chloro-3-(cyclobutylamino)-4-oxo-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid Traditional Name: 1-chloro-3-(cyclobutylamino)-4-keto-8-(3-phenylpropyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=C3C(CC(N3C2=O)C(=O)O)CCCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CC(C1)NC2=NC(=C3C(CC(N3C2=O)C(=O)O)CCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H24ClN3O3/c22-18-17-14(9-4-8-13-6-2-1-3-7-13)12-16(21(27)28)25(17)20(26)19(24-18)23-15-10-5-11-15/h1-3,6-7,14-16H,4-5,8-12H2,(H,23,24)(H,27,28)