[7-chloranyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1,5-benzodiazepin-3-yl] ethanoate

Systemtic Name: [7-chloranyl-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxidanylidene-4,5-dihydro-3H-1,5-benzodiazepin-3-yl] ethanoate Openeye Name: [7-chloro-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1,5-benzodiazepin-3-yl] acetate CAS Name: acetic acid [7-chloro-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1,5-benzodiazepin-3-yl] ester IUPAC Name: [7-chloro-1-(2-dimethylaminoethyl)-4-(4-methoxyphenyl)-2-oxo-4,5-dihydro-3H-1,5-benzodiazepin-3-yl] acetate Traditional Name: acetic acid [7-chloro-1-(2-dimethylaminoethyl)-2-keto-4-(4-methoxyphenyl)-4,5-dihydro-3H-1,5-benzodiazepin-3-yl] ester Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(NC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)OC1C(NC2=C(C=CC(=C2)Cl)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26ClN3O4/c1-14(27)30-21-20(15-5-8-17(29-4)9-6-15)24-18-13-16(23)7-10-19(18)26(22(21)28)12-11-25(2)3/h5-10,13,20-21,24H,11-12H2,1-4H3