(2S)-2-[2-(benzotriazol-1-yl)ethanoyl-prop-2-enyl-amino]-N-(2-methoxyethyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[2-(benzotriazol-1-yl)ethanoyl-prop-2-enyl-amino]-N-(2-methoxyethyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[allyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-methoxyethyl)-2-phenyl-acetamide CAS Name: (2S)-2-[[2-(1-benzotriazolyl)-1-oxoethyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-phenylacetamide IUPAC Name: (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-prop-2-enylamino]-N-(2-methoxyethyl)-2-phenylacetamide Traditional Name: (2S)-2-[allyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-(2-methoxyethyl)-2-phenyl-acetamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C(C1=CC=CC=C1)N(CC=C)C(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

COCCNC(=O)[C@H](C1=CC=CC=C1)N(CC=C)C(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C22H25N5O3/c1-3-14-26(20(28)16-27-19-12-8-7-11-18(19)24-25-27)21(17-9-5-4-6-10-17)22(29)23-13-15-30-2/h3-12,21H,1,13-16H2,2H3,(H,23,29)/t21-/m0/s1