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

Systemtic Name: 4-[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]-3-pyridin-3-yl-butanoic acid Openeye Name: 4-[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]-3-(3-pyridyl)butanoic acid CAS Name: 4-[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]-3-(3-pyridinyl)butanoic acid IUPAC Name: 4-[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]-3-pyridin-3-ylbutanoic acid Traditional Name: 4-[4-[3-(1H-imidazol-2-ylamino)propyl]-3-keto-1,4-benzoxazin-7-yl]-3-(3-pyridyl)butyric acid Formula: C23H25N5O4 MolecularWeight: 435.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4/c29-21-15-32-20-12-16(11-18(13-22(30)31)17-3-1-6-24-14-17)4-5-19(20)28(21)10-2-7-25-23-26-8-9-27-23/h1,3-6,8-9,12,14,18H,2,7,10-11,13,15H2,(H,30,31)(H2,25,26,27)