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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4-methyl-5-propyl-5H-2,3-benzodiazepine hydrate Openeye Name: 1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4-methyl-5-propyl-5H-2,3-benzodiazepine hydrate CAS Name: 1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4-methyl-5-propyl-5H-2,3-benzodiazepine hydrate IUPAC Name: 1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4-methyl-5-propyl-5H-2,3-benzodiazepine hydrate Traditional Name: 1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-4-methyl-5-propyl-5H-2,3-benzodiazepine hydrate Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C.O

Isomeric SMILES

CCCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C.O

InChI

InChI=1S/C23H28N2O4.H2O/c1-7-8-16-14(2)24-25-23(15-9-10-19(26-3)20(11-15)27-4)18-13-22(29-6)21(28-5)12-17(16)18;/h9-13,16H,7-8H2,1-6H3;1H2