3-(aminocarbonylamino)-5-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)benzoic acid

Systemtic Name: 3-(aminocarbonylamino)-5-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)benzoic acid Openeye Name: 3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)-5-ureido-benzoic acid CAS Name: 3-(carbamoylamino)-5-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)benzoic acid IUPAC Name: 3-(carbamoylamino)-5-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)benzoic acid Traditional Name: 3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)-5-ureido-benzoic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC2=CC=CC=C2N1)C3=CC(=CC(=C3)C(=O)O)NC(=O)N

Isomeric SMILES

C1C(CNC2=CC=CC=C2N1)C3=CC(=CC(=C3)C(=O)O)NC(=O)N

InChI

InChI=1S/C17H18N4O3/c18-17(24)21-13-6-10(5-11(7-13)16(22)23)12-8-19-14-3-1-2-4-15(14)20-9-12/h1-7,12,19-20H,8-9H2,(H,22,23)(H3,18,21,24)