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

Systemtic Name: [7-chloranyl-2-(2-diethylaminoethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ethanoate Openeye Name: [7-chloro-2-(2-diethylaminoethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] acetate CAS Name: acetic acid [7-chloro-2-(2-diethylaminoethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester IUPAC Name: [7-chloro-2-(2-diethylaminoethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] acetate Traditional Name: acetic acid [7-chloro-2-(2-diethylaminoethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester Formula: C23H27ClN4O2 MolecularWeight: 426.93908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1OC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(C=C(C=C2)Cl)C(=NC1OC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C23H27ClN4O2/c1-4-28(5-2)14-13-25-22-23(30-16(3)29)27-21(17-9-7-6-8-10-17)19-15-18(24)11-12-20(19)26-22/h6-12,15,23H,4-5,13-14H2,1-3H3,(H,25,26)