3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-keto-1,4-benzoxazin-7-yl]amino]-3-(3-pyridyl)propionic acid Formula: C22H24N6O4 MolecularWeight: 436.46376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)NC(CC(=O)O)C3=CN=CC=C3)CCCNC4=NC=CN4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)NC(CC(=O)O)C3=CN=CC=C3)CCCNC4=NC=CN4

InChI

InChI=1S/C22H24N6O4/c29-20-14-32-19-11-16(27-17(12-21(30)31)15-3-1-6-23-13-15)4-5-18(19)28(20)10-2-7-24-22-25-8-9-26-22/h1,3-6,8-9,11,13,17,27H,2,7,10,12,14H2,(H,30,31)(H2,24,25,26)