4-[(8-aminocarbonyl-7-chloranyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(8-aminocarbonyl-7-chloranyl-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[(8-carbamoyl-7-chloro-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoic acid CAS Name: 4-[[(8-carbamoyl-7-chloro-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(8-carbamoyl-7-chloro-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoic acid Traditional Name: 4-[(8-carbamoyl-7-chloro-6-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)amino]benzoic acid Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=C(C(=C2C3=CC=CC=C3)Cl)C(=O)N)CN1C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CN2C(=C(C(=C2C3=CC=CC=C3)Cl)C(=O)N)CN1C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H19ClN4O4/c23-18-17(20(24)28)16-12-26(10-11-27(16)19(18)13-4-2-1-3-5-13)22(31)25-15-8-6-14(7-9-15)21(29)30/h1-9H,10-12H2,(H2,24,28)(H,25,31)(H,29,30)