4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-[[bis(2-pyridylmethyl)amino]methyl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-[[bis(2-pyridinylmethyl)amino]methyl]-3H-1,3-benzoxazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-[[bis(2-pyridylmethyl)amino]methyl]-3H-1,3-benzoxazol-2-ylidene]cyclohexa-2,5-dien-1-one Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CC2=C3C(=CC=C2)OC(=C4C=CC(=O)C=C4)N3)CC5=CC=CC=N5

Isomeric SMILES

C1=CC=NC(=C1)CN(CC2=C3C(=CC=C2)OC(=C4C=CC(=O)C=C4)N3)CC5=CC=CC=N5

InChI

InChI=1S/C26H22N4O2/c31-23-12-10-19(11-13-23)26-29-25-20(6-5-9-24(25)32-26)16-30(17-21-7-1-3-14-27-21)18-22-8-2-4-15-28-22/h1-15,29H,16-18H2