[7-chloranyl-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ethanoate

Systemtic Name: [7-chloranyl-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ethanoate Openeye Name: [7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] acetate CAS Name: acetic acid [7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester IUPAC Name: [7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] acetate Traditional Name: acetic acid [7-chloro-2-(diethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(C=C(C=C2)Cl)C(=NC1OC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=NC2=C(C=C(C=C2)Cl)C(=NC1OC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2/c1-4-25(5-2)20-21(27-14(3)26)24-19(15-9-7-6-8-10-15)17-13-16(22)11-12-18(17)23-20/h6-13,21H,4-5H2,1-3H3