6-[4-(4-tert-butylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(4-tert-butylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-chloranyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(4-tert-butylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-chloro-cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(4-tert-butylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-chloro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-tert-butylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-chlorocyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(4-tert-butylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-chloro-cyclohexa-2,4-dien-1-one Formula: C25H23ClN2O MolecularWeight: 402.91592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=C4C=C(C=CC4=O)Cl)C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=C4C=C(C=CC4=O)Cl)C2

InChI

InChI=1S/C25H23ClN2O/c1-25(2,3)17-10-8-16(9-11-17)22-15-23(19-14-18(26)12-13-24(19)29)28-21-7-5-4-6-20(21)27-22/h4-14,28H,15H2,1-3H3