N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]isoquinoline-1-carboxamide

Systemtic Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]isoquinoline-1-carboxamide Openeye Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]isoquinoline-1-carboxamide CAS Name: N-[(2S)-1-(1-benzotriazolyl)propan-2-yl]-1-isoquinolinecarboxamide IUPAC Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]isoquinoline-1-carboxamide Traditional Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]isoquinoline-1-carboxamide Formula: C19H17N5O MolecularWeight: 331.37118

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2N=N1)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C[C@@H](CN1C2=CC=CC=C2N=N1)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C19H17N5O/c1-13(12-24-17-9-5-4-8-16(17)22-23-24)21-19(25)18-15-7-3-2-6-14(15)10-11-20-18/h2-11,13H,12H2,1H3,(H,21,25)/t13-/m0/s1