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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)(C#N)NC(=O)C(CC2CCCCCC2)NC3=NC(=O)OC4=CC=CC=C43

Isomeric SMILES

CCCN1CCC(CC1)(C#N)NC(=O)[C@H](CC2CCCCCC2)NC3=NC(=O)OC4=CC=CC=C43

InChI

InChI=1S/C27H37N5O3/c1-2-15-32-16-13-27(19-28,14-17-32)31-25(33)22(18-20-9-5-3-4-6-10-20)29-24-21-11-7-8-12-23(21)35-26(34)30-24/h7-8,11-12,20,22H,2-6,9-10,13-18H2,1H3,(H,31,33)(H,29,30,34)/t22-/m0/s1