5-[3-(4-butan-2-ylphenoxy)propyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde

Systemtic Name: 5-[3-(4-butan-2-ylphenoxy)propyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 3-methyl-4-oxo-5-[3-(4-sec-butylphenoxy)propyl]-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 5-[3-(4-butan-2-ylphenoxy)propyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 5-[3-(4-butan-2-ylphenoxy)propyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 4-keto-3-methyl-5-[3-(4-sec-butylphenoxy)propyl]-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Formula: C24H30N2O3 MolecularWeight: 394.5066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N(CC(C2=O)C)C=O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCCCN2C3=CC=CC=C3N(CC(C2=O)C)C=O

InChI

InChI=1S/C24H30N2O3/c1-4-18(2)20-10-12-21(13-11-20)29-15-7-14-26-23-9-6-5-8-22(23)25(17-27)16-19(3)24(26)28/h5-6,8-13,17-19H,4,7,14-16H2,1-3H3