N-(3-cyanothiophen-2-yl)-2-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)CC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)CC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H22N4O3S/c22-12-15-8-11-29-20(15)23-19(26)14-25-13-18(21(27)24-9-4-1-5-10-24)28-17-7-3-2-6-16(17)25/h2-3,6-8,11,18H,1,4-5,9-10,13-14H2,(H,23,26)/t18-/m0/s1