(2S)-N-(4-cyano-1-propyl-azepan-4-yl)-4,4-dimethyl-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]pentanamide

Systemtic Name: (2S)-N-(4-cyano-1-propyl-azepan-4-yl)-4,4-dimethyl-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]pentanamide Openeye Name: (2S)-N-(4-cyano-1-propyl-azepan-4-yl)-4,4-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentanamide CAS Name: (2S)-N-(4-cyano-1-propyl-4-azepanyl)-4,4-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentanamide IUPAC Name: (2S)-N-(4-cyano-1-propylazepan-4-yl)-4,4-dimethyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]pentanamide Traditional Name: (2S)-N-(4-cyano-1-propyl-azepan-4-yl)-2-[(2-keto-1,3-benzoxazin-4-yl)amino]-4,4-dimethyl-valeramide Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCC(CC1)(C#N)NC(=O)C(CC(C)(C)C)NC2=NC(=O)OC3=CC=CC=C32

Isomeric SMILES

CCCN1CCCC(CC1)(C#N)NC(=O)[C@H](CC(C)(C)C)NC2=NC(=O)OC3=CC=CC=C32

InChI

InChI=1S/C25H35N5O3/c1-5-13-30-14-8-11-25(17-26,12-15-30)29-22(31)19(16-24(2,3)4)27-21-18-9-6-7-10-20(18)33-23(32)28-21/h6-7,9-10,19H,5,8,11-16H2,1-4H3,(H,29,31)(H,27,28,32)/t19-,25?/m0/s1