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

Systemtic Name: (6Z)-6-[4-(4-tert-butylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[4-(4-tert-butylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[4-(4-tert-butylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[4-(4-tert-butylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[4-(4-tert-butylphenyl)-1,3-dihydro-1,5-benzodiazepin-2-ylidene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C26H26N2O2 MolecularWeight: 398.49684

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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)OC)C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N/C(=C\4/C=C(C=CC4=O)OC)/C2

InChI

InChI=1S/C26H26N2O2/c1-26(2,3)18-11-9-17(10-12-18)23-16-24(20-15-19(30-4)13-14-25(20)29)28-22-8-6-5-7-21(22)27-23/h5-15,28H,16H2,1-4H3/b24-20-