(4-chloranylpyrazol-1-yl)methyl 6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate

Systemtic Name: (4-chloranylpyrazol-1-yl)methyl 6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate Openeye Name: (4-chloropyrazol-1-yl)methyl 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate CAS Name: 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid (4-chloro-1-pyrazolyl)methyl ester IUPAC Name: (4-chloropyrazol-1-yl)methyl 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylate Traditional Name: 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-9-carboxylic acid (4-chloropyrazol-1-yl)methyl ester Formula: C16H17Cl2N3O2 MolecularWeight: 354.23108

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=CC(=C2CC1)Cl)C(=O)OCN3C=C(C=N3)Cl

Isomeric SMILES

CN1CCC2=C(C=CC(=C2CC1)Cl)C(=O)OCN3C=C(C=N3)Cl

InChI

InChI=1S/C16H17Cl2N3O2/c1-20-6-4-12-13(5-7-20)15(18)3-2-14(12)16(22)23-10-21-9-11(17)8-19-21/h2-3,8-9H,4-7,10H2,1H3