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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(C=CC=N2)N(C3=CC=CC=C3C1=O)CCCOC4CCCCO4

Isomeric SMILES

CC(=O)N1C2=C(C=CC=N2)N(C3=CC=CC=C3C1=O)CCCOC4CCCCO4

InChI

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