(2S)-N-(4-cyano-1-propyl-piperidin-4-yl)-4-cyclohexyl-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]butanamide

Systemtic Name: (2S)-N-(4-cyano-1-propyl-piperidin-4-yl)-4-cyclohexyl-2-[(2-oxidanylidene-1,3-benzoxazin-4-yl)amino]butanamide Openeye Name: (2S)-N-(4-cyano-1-propyl-4-piperidyl)-4-cyclohexyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]butanamide CAS Name: (2S)-N-(4-cyano-1-propyl-4-piperidinyl)-4-cyclohexyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]butanamide IUPAC Name: (2S)-N-(4-cyano-1-propylpiperidin-4-yl)-4-cyclohexyl-2-[(2-oxo-1,3-benzoxazin-4-yl)amino]butanamide Traditional Name: (2S)-N-(4-cyano-1-propyl-4-piperidyl)-4-cyclohexyl-2-[(2-keto-1,3-benzoxazin-4-yl)amino]butyramide Formula: C27H37N5O3 MolecularWeight: 479.61438

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)(C#N)NC(=O)C(CCC2CCCCC2)NC3=NC(=O)OC4=CC=CC=C43

Isomeric SMILES

CCCN1CCC(CC1)(C#N)NC(=O)[C@H](CCC2CCCCC2)NC3=NC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C27H37N5O3/c1-2-16-32-17-14-27(19-28,15-18-32)31-25(33)22(13-12-20-8-4-3-5-9-20)29-24-21-10-6-7-11-23(21)35-26(34)30-24/h6-7,10-11,20,22H,2-5,8-9,12-18H2,1H3,(H,31,33)(H,29,30,34)/t22-/m0/s1