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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CCOC3=CC=C(C=C3)C(C)(C)C)C=O

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCOC3=CC=C(C=C3)C(C)(C)C)C=O

InChI

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