5-butyl-1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine hydrate

Systemtic Name: 5-butyl-1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine hydrate Openeye Name: 5-butyl-1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine hydrate CAS Name: 5-butyl-1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine hydrate IUPAC Name: 5-butyl-1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine hydrate Traditional Name: 5-butyl-1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine hydrate Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C.O

Isomeric SMILES

CCCCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C.O

InChI

InChI=1S/C24H30N2O4.H2O/c1-7-8-9-17-15(2)25-26-24(16-10-11-20(27-3)21(12-16)28-4)19-14-23(30-6)22(29-5)13-18(17)19;/h10-14,17H,7-9H2,1-6H3;1H2