N-(1-cyano-2-phenylmethoxy-ethyl)-3-cyclohexyl-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]propanamide

Systemtic Name: N-(1-cyano-2-phenylmethoxy-ethyl)-3-cyclohexyl-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]propanamide Openeye Name: N-(2-benzyloxy-1-cyano-ethyl)-3-cyclohexyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide CAS Name: N-(1-cyano-2-phenylmethoxyethyl)-3-cyclohexyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide IUPAC Name: N-(1-cyano-2-phenylmethoxyethyl)-3-cyclohexyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]propanamide Traditional Name: N-(2-benzoxy-1-cyano-ethyl)-3-cyclohexyl-2-[(2-keto-1,3-benzoxazin-4-yl)amino]propionamide Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC(COCC2=CC=CC=C2)C#N)NC3=NC(=O)OC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC(COCC2=CC=CC=C2)C#N)NC3=NC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C27H30N4O4/c28-16-21(18-34-17-20-11-5-2-6-12-20)29-26(32)23(15-19-9-3-1-4-10-19)30-25-22-13-7-8-14-24(22)35-27(33)31-25/h2,5-8,11-14,19,21,23H,1,3-4,9-10,15,17-18H2,(H,29,32)(H,30,31,33)