ethyl 2-[1-(4-azanyl-3-methoxy-phenyl)carbonyl-7-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[1-(4-azanyl-3-methoxy-phenyl)carbonyl-7-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-5-yl]ethanoate Openeye Name: ethyl 2-[1-(4-amino-3-methoxy-benzoyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate CAS Name: 2-[1-[(4-amino-3-methoxyphenyl)-oxomethyl]-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-amino-3-methoxybenzoyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetate Traditional Name: 2-[1-(4-amino-3-methoxy-benzoyl)-4-keto-7-methyl-2,3-dihydro-1,5-benzodiazepin-5-yl]acetic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CCN(C2=C1C=C(C=C2)C)C(=O)C3=CC(=C(C=C3)N)OC

Isomeric SMILES

CCOC(=O)CN1C(=O)CCN(C2=C1C=C(C=C2)C)C(=O)C3=CC(=C(C=C3)N)OC

InChI

InChI=1S/C22H25N3O5/c1-4-30-21(27)13-25-18-11-14(2)5-8-17(18)24(10-9-20(25)26)22(28)15-6-7-16(23)19(12-15)29-3/h5-8,11-12H,4,9-10,13,23H2,1-3H3