4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[4-[4-(2-pyridyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[4-[4-(2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[4-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[4-[4-(2-pyridyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,4-benzoxazepine-3,5-quinone Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=N2)CCCCN3C(=O)COC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=N2)CCCCN3C(=O)COC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c27-22-17-29-21-9-2-1-7-19(21)23(28)26(22)14-6-5-13-25-15-10-18(11-16-25)20-8-3-4-12-24-20/h1-4,7-10,12H,5-6,11,13-17H2