2-diethylaminoethyl 7-chloranyl-5-oxidanylidene-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxylate

Systemtic Name: 2-diethylaminoethyl 7-chloranyl-5-oxidanylidene-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxylate Openeye Name: 2-diethylaminoethyl 7-chloro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxylate CAS Name: 7-chloro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 7-chloro-5-oxo-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxylate Traditional Name: 7-chloro-5-keto-4-phenyl-1H-1,2,4-benzotriazepine-3-carboxylic acid 2-diethylaminoethyl ester Formula: C21H23ClN4O3 MolecularWeight: 414.88532

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=NNC2=C(C=C(C=C2)Cl)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCOC(=O)C1=NNC2=C(C=C(C=C2)Cl)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN4O3/c1-3-25(4-2)12-13-29-21(28)19-24-23-18-11-10-15(22)14-17(18)20(27)26(19)16-8-6-5-7-9-16/h5-11,14,23H,3-4,12-13H2,1-2H3