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

Systemtic Name: 11-[3-(oxan-2-yloxy)propyl]-5H-pyrido[3,4-b][1,4]benzodiazepin-6-one hydrochloride Openeye Name: 11-(3-tetrahydropyran-2-yloxypropyl)-5H-pyrido[3,4-b][1,4]benzodiazepin-6-one hydrochloride CAS Name: 11-[3-(2-oxanyloxy)propyl]-5H-pyrido[3,4-b][1,4]benzodiazepin-6-one hydrochloride IUPAC Name: 11-[3-(oxan-2-yloxy)propyl]-5H-pyrido[3,4-b][1,4]benzodiazepin-6-one hydrochloride Traditional Name: 11-(3-tetrahydropyran-2-yloxypropyl)-5H-pyrido[3,4-b][1,4]benzodiazepin-6-one hydrochloride Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCN2C3=CC=CC=C3C(=O)NC4=C2C=NC=C4.Cl

Isomeric SMILES

C1CCOC(C1)OCCCN2C3=CC=CC=C3C(=O)NC4=C2C=NC=C4.Cl

InChI

InChI=1S/C20H23N3O3.ClH/c24-20-15-6-1-2-7-17(15)23(18-14-21-10-9-16(18)22-20)11-5-13-26-19-8-3-4-12-25-19;/h1-2,6-7,9-10,14,19H,3-5,8,11-13H2,(H,22,24);1H