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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=CC=CC=C2N(C1=O)CCCOC3=CC=C(C=C3)C(C)(C)C)C=O

Isomeric SMILES

CC1CN(C2=CC=CC=C2N(C1=O)CCCOC3=CC=C(C=C3)C(C)(C)C)C=O

InChI

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