[1-[2-(butylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid

Systemtic Name: [1-[2-(butylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid Openeye Name: [1-[2-(butylamino)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid CAS Name: [1-[2-(butylamino)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid IUPAC Name: [1-[2-(butylamino)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid Traditional Name: [1-[2-(butylamino)-2-keto-ethyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid Formula: C22H24N4O4 MolecularWeight: 408.45036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4/c1-2-3-13-23-18(27)14-26-17-12-8-7-11-16(17)19(15-9-5-4-6-10-15)24-20(21(26)28)25-22(29)30/h4-12,20,25H,2-3,13-14H2,1H3,(H,23,27)(H,29,30)