4-ethanoyl-11-[3-(oxan-2-yloxy)propyl]-5H-pyrido[3,4-b][1,4]benzodiazepin-6-one

Systemtic Name: 4-ethanoyl-11-[3-(oxan-2-yloxy)propyl]-5H-pyrido[3,4-b][1,4]benzodiazepin-6-one Openeye Name: 4-acetyl-11-(3-tetrahydropyran-2-yloxypropyl)-5H-pyrido[3,4-b][1,4]benzodiazepin-6-one CAS Name: 4-acetyl-11-[3-(2-oxanyloxy)propyl]-5H-pyrido[3,4-b][1,4]benzodiazepin-6-one IUPAC Name: 4-acetyl-11-[3-(oxan-2-yloxy)propyl]-5H-pyrido[3,4-b][1,4]benzodiazepin-6-one Traditional Name: 4-acetyl-11-(3-tetrahydropyran-2-yloxypropyl)-5H-pyrido[3,4-b][1,4]benzodiazepin-6-one Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN=CC2=C1NC(=O)C3=CC=CC=C3N2CCCOC4CCCCO4

Isomeric SMILES

CC(=O)C1=CN=CC2=C1NC(=O)C3=CC=CC=C3N2CCCOC4CCCCO4

InChI

InChI=1S/C22H25N3O4/c1-15(26)17-13-23-14-19-21(17)24-22(27)16-7-2-3-8-18(16)25(19)10-6-12-29-20-9-4-5-11-28-20/h2-3,7-8,13-14,20H,4-6,9-12H2,1H3,(H,24,27)