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

Systemtic Name: 5-ethanoyl-11-[3-(oxan-2-yloxy)propyl]pyrido[3,4-b][1,4]benzodiazepin-6-one Openeye Name: 5-acetyl-11-(3-tetrahydropyran-2-yloxypropyl)pyrido[3,4-b][1,4]benzodiazepin-6-one CAS Name: 5-acetyl-11-[3-(2-oxanyloxy)propyl]-6-pyrido[3,4-b][1,4]benzodiazepinone IUPAC Name: 5-acetyl-11-[3-(oxan-2-yloxy)propyl]pyrido[3,4-b][1,4]benzodiazepin-6-one Traditional Name: 5-acetyl-11-(3-tetrahydropyran-2-yloxypropyl)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)N1C2=C(C=NC=C2)N(C3=CC=CC=C3C1=O)CCCOC4CCCCO4

Isomeric SMILES

CC(=O)N1C2=C(C=NC=C2)N(C3=CC=CC=C3C1=O)CCCOC4CCCCO4

InChI

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