4-[4-(4-hydroxyphenyl)-4-methyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-(4-hydroxyphenyl)-4-methyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(4-hydroxyphenyl)-4-methyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(4-hydroxyphenyl)-4-methyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(4-hydroxyphenyl)-4-methyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(4-hydroxyphenyl)-4-methyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C22H20N2O2 MolecularWeight: 344.4064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C2C=CC(=O)C=C2)NC3=CC=CC=C3N1)C4=CC=C(C=C4)O

Isomeric SMILES

CC1(CC(=C2C=CC(=O)C=C2)NC3=CC=CC=C3N1)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H20N2O2/c1-22(16-8-12-18(26)13-9-16)14-21(15-6-10-17(25)11-7-15)23-19-4-2-3-5-20(19)24-22/h2-13,23-24,26H,14H2,1H3