4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[(3-cyano-1-cyclohexyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CC(OC3=CC=CC=C32)C(=O)NC)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CC(OC3=CC=CC=C32)C(=O)NC)C4CCCCC4)C

InChI

InChI=1S/C25H31N5O3/c1-16-17(2)30(18-9-5-4-6-10-18)24(19(16)13-26)28-23(31)15-29-14-22(25(32)27-3)33-21-12-8-7-11-20(21)29/h7-8,11-12,18,22H,4-6,9-10,14-15H2,1-3H3,(H,27,32)(H,28,31)