ethyl 2-[(7-chloranyl-5-phenyl-2,4-dihydro-1,3,4-benzotriazepin-3-yl)carbonyl]-2-ethyl-butanoate

Systemtic Name: ethyl 2-[(7-chloranyl-5-phenyl-2,4-dihydro-1,3,4-benzotriazepin-3-yl)carbonyl]-2-ethyl-butanoate Openeye Name: ethyl 2-(7-chloro-5-phenyl-2,4-dihydro-1,3,4-benzotriazepine-3-carbonyl)-2-ethyl-butanoate CAS Name: 2-[(7-chloro-5-phenyl-2,4-dihydro-1,3,4-benzotriazepin-3-yl)-oxomethyl]-2-ethylbutanoic acid ethyl ester IUPAC Name: ethyl 2-(7-chloro-5-phenyl-2,4-dihydro-1,3,4-benzotriazepine-3-carbonyl)-2-ethylbutanoate Traditional Name: 2-(7-chloro-5-phenyl-2,4-dihydro-1,3,4-benzotriazepine-3-carbonyl)-2-ethyl-butyric acid ethyl ester Formula: C23H26ClN3O3 MolecularWeight: 427.92384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)N1CN=C2C=CC(=CC2=C(N1)C3=CC=CC=C3)Cl)C(=O)OCC

Isomeric SMILES

CCC(CC)(C(=O)N1CN=C2C=CC(=CC2=C(N1)C3=CC=CC=C3)Cl)C(=O)OCC

InChI

InChI=1S/C23H26ClN3O3/c1-4-23(5-2,22(29)30-6-3)21(28)27-15-25-19-13-12-17(24)14-18(19)20(26-27)16-10-8-7-9-11-16/h7-14,26H,4-6,15H2,1-3H3