[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate

Systemtic Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate Openeye Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzoxazin-2-yl)acetic acid [2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3O2)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3O2)C4CCCCC4)C

InChI

InChI=1S/C25H28N4O5/c1-15-16(2)29(17-8-4-3-5-9-17)24(18(15)13-26)28-22(30)14-33-23(31)12-21-25(32)27-19-10-6-7-11-20(19)34-21/h6-7,10-11,17,21H,3-5,8-9,12,14H2,1-2H3,(H,27,32)(H,28,30)