ethyl 2-(benzotriazol-1-ylmethyl)imidazo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(benzotriazol-1-ylmethyl)imidazo[2,1-a]isoquinoline-3-carboxylate Openeye Name: ethyl 2-(benzotriazol-1-ylmethyl)imidazo[2,1-a]isoquinoline-3-carboxylate CAS Name: 2-(1-benzotriazolylmethyl)-3-imidazo[2,1-a]isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzotriazol-1-ylmethyl)imidazo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 2-(benzotriazol-1-ylmethyl)imidaz[2,1-a]isoquinoline-3-carboxylic acid ethyl ester Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H17N5O2/c1-2-28-21(27)19-17(13-26-18-10-6-5-9-16(18)23-24-26)22-20-15-8-4-3-7-14(15)11-12-25(19)20/h3-12H,2,13H2,1H3