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

Systemtic Name: 5-[2-(4-butan-2-ylphenoxy)ethyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 3-methyl-4-oxo-5-[2-(4-sec-butylphenoxy)ethyl]-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 5-[2-(4-butan-2-ylphenoxy)ethyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 5-[2-(4-butan-2-ylphenoxy)ethyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 4-keto-3-methyl-5-[2-(4-sec-butylphenoxy)ethyl]-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N(CC(C2=O)C)C=O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N(CC(C2=O)C)C=O

InChI

InChI=1S/C23H28N2O3/c1-4-17(2)19-9-11-20(12-10-19)28-14-13-25-22-8-6-5-7-21(22)24(16-26)15-18(3)23(25)27/h5-12,16-18H,4,13-15H2,1-3H3