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

Systemtic Name: 5-[2-(4-ethylphenoxy)ethyl]-3-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Openeye Name: 5-[2-(4-ethylphenoxy)ethyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde CAS Name: 5-[2-(4-ethylphenoxy)ethyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxaldehyde IUPAC Name: 5-[2-(4-ethylphenoxy)ethyl]-3-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Traditional Name: 5-[2-(4-ethylphenoxy)ethyl]-4-keto-3-methyl-2,3-dihydro-1,5-benzodiazepine-1-carbaldehyde Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N(CC(C2=O)C)C=O

Isomeric SMILES

CCC1=CC=C(C=C1)OCCN2C3=CC=CC=C3N(CC(C2=O)C)C=O

InChI

InChI=1S/C21H24N2O3/c1-3-17-8-10-18(11-9-17)26-13-12-23-20-7-5-4-6-19(20)22(15-24)14-16(2)21(23)25/h4-11,15-16H,3,12-14H2,1-2H3