N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-4,7-dimethoxy-1H-indole-2-carboxamide

Systemtic Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-4,7-dimethoxy-1H-indole-2-carboxamide Openeye Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-4,7-dimethoxy-1H-indole-2-carboxamide CAS Name: N-[(2S)-1-(1-benzotriazolyl)propan-2-yl]-4,7-dimethoxy-1H-indole-2-carboxamide IUPAC Name: N-[(2S)-1-(benzotriazol-1-yl)propan-2-yl]-4,7-dimethoxy-1H-indole-2-carboxamide Traditional Name: N-[(1S)-2-(benzotriazol-1-yl)-1-methyl-ethyl]-4,7-dimethoxy-1H-indole-2-carboxamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2N=N1)NC(=O)C3=CC4=C(C=CC(=C4N3)OC)OC

Isomeric SMILES

C[C@@H](CN1C2=CC=CC=C2N=N1)NC(=O)C3=CC4=C(C=CC(=C4N3)OC)OC

InChI

InChI=1S/C20H21N5O3/c1-12(11-25-16-7-5-4-6-14(16)23-24-25)21-20(26)15-10-13-17(27-2)8-9-18(28-3)19(13)22-15/h4-10,12,22H,11H2,1-3H3,(H,21,26)/t12-/m0/s1