3-azanylidene-2-[2-[8-tert-butyl-4-(cyanomethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-oxidanylidene-ethyl]-6-ethoxy-N-methyl-1H-isoindole-5-carboxamide

Systemtic Name: 3-azanylidene-2-[2-[8-tert-butyl-4-(cyanomethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-oxidanylidene-ethyl]-6-ethoxy-N-methyl-1H-isoindole-5-carboxamide Openeye Name: 2-[2-[8-tert-butyl-4-(cyanomethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-oxo-ethyl]-6-ethoxy-3-imino-N-methyl-isoindoline-5-carboxamide CAS Name: 2-[2-[8-tert-butyl-4-(cyanomethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-oxoethyl]-6-ethoxy-3-imino-N-methyl-1H-isoindole-5-carboxamide IUPAC Name: 2-[2-[8-tert-butyl-4-(cyanomethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-oxoethyl]-6-ethoxy-3-imino-N-methyl-1H-isoindole-5-carboxamide Traditional Name: 2-[2-[8-tert-butyl-4-(cyanomethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-keto-ethyl]-6-ethoxy-3-imino-N-methyl-isoindoline-5-carboxamide Formula: C28H33N5O4 MolecularWeight: 503.59272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C4C(=C3)N(CCO4)CC#N)C(C)(C)C)C(=O)NC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CN(C2=N)CC(=O)C3=CC(=C4C(=C3)N(CCO4)CC#N)C(C)(C)C)C(=O)NC

InChI

InChI=1S/C28H33N5O4/c1-6-36-24-13-18-15-33(26(30)19(18)14-20(24)27(35)31-5)16-23(34)17-11-21(28(2,3)4)25-22(12-17)32(8-7-29)9-10-37-25/h11-14,30H,6,8-10,15-16H2,1-5H3,(H,31,35)