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

Systemtic Name: [7-chloranyl-2-(methylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] 3,4,5-trimethoxybenzoate Openeye Name: [7-chloro-2-(methylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [7-chloro-2-(methylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester IUPAC Name: [7-chloro-2-(methylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [7-chloro-2-(methylamino)-5-phenyl-3H-1,4-benzodiazepin-3-yl] ester Formula: C26H24ClN3O5 MolecularWeight: 493.93886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CNC1=NC2=C(C=C(C=C2)Cl)C(=NC1OC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H24ClN3O5/c1-28-24-25(35-26(31)16-12-20(32-2)23(34-4)21(13-16)33-3)30-22(15-8-6-5-7-9-15)18-14-17(27)10-11-19(18)29-24/h5-14,25H,1-4H3,(H,28,29)