methyl 2-(1-ethylbenzotriazol-5-yl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Systemtic Name: methyl 2-(1-ethylbenzotriazol-5-yl)carbonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Openeye Name: methyl 2-(1-ethylbenzotriazole-5-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate CAS Name: 2-[(1-ethyl-5-benzotriazolyl)-oxomethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-ethylbenzotriazole-5-carbonyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate Traditional Name: 2-(1-ethylbenzotriazole-5-carbonyl)-1,3,4,5-tetrahydropyrid[4,3-b]indole-8-carboxylic acid methyl ester Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CCC4=C(C3)C5=C(N4)C=CC(=C5)C(=O)OC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CCC4=C(C3)C5=C(N4)C=CC(=C5)C(=O)OC)N=N1

InChI

InChI=1S/C22H21N5O3/c1-3-27-20-7-5-13(11-19(20)24-25-27)21(28)26-9-8-18-16(12-26)15-10-14(22(29)30-2)4-6-17(15)23-18/h4-7,10-11,23H,3,8-9,12H2,1-2H3