ethyl 2-[1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-4-yl]ethanoate

Systemtic Name: ethyl 2-[1-(2-chloranyl-4-pyrrolidin-1-yl-phenyl)carbonyl-3-oxidanylidene-2,5-dihydro-1,4-benzodiazepin-4-yl]ethanoate Openeye Name: ethyl 2-[1-(2-chloro-4-pyrrolidin-1-yl-benzoyl)-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]acetate CAS Name: 2-[1-[[2-chloro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-chloro-4-pyrrolidin-1-ylbenzoyl)-3-oxo-2,5-dihydro-1,4-benzodiazepin-4-yl]acetate Traditional Name: 2-[1-(2-chloro-4-pyrrolidino-benzoyl)-3-keto-2,5-dihydro-1,4-benzodiazepin-4-yl]acetic acid ethyl ester Formula: C24H26ClN3O4 MolecularWeight: 455.93394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CC2=CC=CC=C2N(CC1=O)C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl

Isomeric SMILES

CCOC(=O)CN1CC2=CC=CC=C2N(CC1=O)C(=O)C3=C(C=C(C=C3)N4CCCC4)Cl

InChI

InChI=1S/C24H26ClN3O4/c1-2-32-23(30)16-27-14-17-7-3-4-8-21(17)28(15-22(27)29)24(31)19-10-9-18(13-20(19)25)26-11-5-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14-16H2,1H3