5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]-1H-pyridine-3-carboxamide

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]-1H-pyridine-3-carboxamide Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-N-[4-(3-pyridylmethylamino)cyclohexyl]-1H-pyridine-3-carboxamide CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-N-[4-(3-pyridinylmethylamino)cyclohexyl]-1H-pyridine-3-carboxamide IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-N-[4-(pyridin-3-ylmethylamino)cyclohexyl]-1H-pyridine-3-carboxamide Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-N-[4-(3-pyridylmethylamino)cyclohexyl]-1H-pyridine-3-carboxamide Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CNC(=O)C(=C3)C(=O)NC4CCC(CC4)NCC5=CN=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CNC(=O)C(=C3)C(=O)NC4CCC(CC4)NCC5=CN=CC=C5)OC1

InChI

InChI=1S/C27H30N4O4/c32-26-23(13-20(17-30-26)19-4-9-24-25(14-19)35-12-2-11-34-24)27(33)31-22-7-5-21(6-8-22)29-16-18-3-1-10-28-15-18/h1,3-4,9-10,13-15,17,21-22,29H,2,5-8,11-12,16H2,(H,30,32)(H,31,33)