5-[(E)-2-(4-butoxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride

Systemtic Name: 5-[(E)-2-(4-butoxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Openeye Name: 5-[(E)-2-(4-butoxyphenyl)vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride CAS Name: 5-[(E)-2-(4-butoxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride IUPAC Name: 5-[(E)-2-(4-butoxyphenyl)ethenyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Traditional Name: 5-[(E)-2-(4-butoxyphenyl)vinyl]-1-methyl-2,3-dihydro-1,4-benzodiazepine dihydrochloride Formula: C22H28Cl2N2O MolecularWeight: 407.37652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NCCN(C3=CC=CC=C32)C.Cl.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NCCN(C3=CC=CC=C32)C.Cl.Cl

InChI

InChI=1S/C22H26N2O.2ClH/c1-3-4-17-25-19-12-9-18(10-13-19)11-14-21-20-7-5-6-8-22(20)24(2)16-15-23-21;;/h5-14H,3-4,15-17H2,1-2H3;2*1H/b14-11+;;