N-[(2S)-1-oxidanylidene-3-phenyl-1-(pyrrolidin-1-ylcarbonylamino)propan-2-yl]benzotriazole-1-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-3-phenyl-1-(pyrrolidin-1-ylcarbonylamino)propan-2-yl]benzotriazole-1-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-2-(pyrrolidine-1-carbonylamino)ethyl]benzotriazole-1-carboxamide CAS Name: N-[(2S)-1-oxo-1-[[oxo(1-pyrrolidinyl)methyl]amino]-3-phenylpropan-2-yl]-1-benzotriazolecarboxamide IUPAC Name: N-[(2S)-1-oxo-3-phenyl-1-(pyrrolidine-1-carbonylamino)propan-2-yl]benzotriazole-1-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(pyrrolidine-1-carbonylamino)ethyl]benzotriazole-1-carboxamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC(=O)C(CC2=CC=CC=C2)NC(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(C1)C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H22N6O3/c28-19(23-20(29)26-12-6-7-13-26)17(14-15-8-2-1-3-9-15)22-21(30)27-18-11-5-4-10-16(18)24-25-27/h1-5,8-11,17H,6-7,12-14H2,(H,22,30)(H,23,28,29)/t17-/m0/s1