ethyl 4-[1-(4-aminophenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]butanoate

Systemtic Name: ethyl 4-[1-(4-aminophenyl)carbonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]butanoate Openeye Name: ethyl 4-[1-(4-aminobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]butanoate CAS Name: 4-[1-[(4-aminophenyl)-oxomethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-aminobenzoyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]butanoate Traditional Name: 4-[1-(4-aminobenzoyl)-4-keto-2,3-dihydro-1,5-benzodiazepin-5-yl]butyric acid ethyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CCOC(=O)CCCN1C(=O)CCN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C22H25N3O4/c1-2-29-21(27)8-5-14-24-18-6-3-4-7-19(18)25(15-13-20(24)26)22(28)16-9-11-17(23)12-10-16/h3-4,6-7,9-12H,2,5,8,13-15,23H2,1H3