11-[3-(oxan-2-yloxy)propyl]-6-phenyl-pyrido[4,3-b][1,4]benzodiazepine

Systemtic Name: 11-[3-(oxan-2-yloxy)propyl]-6-phenyl-pyrido[4,3-b][1,4]benzodiazepine Openeye Name: 6-phenyl-11-(3-tetrahydropyran-2-yloxypropyl)pyrido[4,3-b][1,4]benzodiazepine CAS Name: 11-[3-(2-oxanyloxy)propyl]-6-phenylpyrido[4,3-b][1,4]benzodiazepine IUPAC Name: 11-[3-(oxan-2-yloxy)propyl]-6-phenylpyrido[4,3-b][1,4]benzodiazepine Traditional Name: 6-phenyl-11-(3-tetrahydropyran-2-yloxypropyl)pyrido[4,3-b][1,4]benzodiazepine Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCN2C3=C(C=NC=C3)N=C(C4=CC=CC=C42)C5=CC=CC=C5

Isomeric SMILES

C1CCOC(C1)OCCCN2C3=C(C=NC=C3)N=C(C4=CC=CC=C42)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O2/c1-2-9-20(10-3-1)26-21-11-4-5-12-23(21)29(24-14-15-27-19-22(24)28-26)16-8-18-31-25-13-6-7-17-30-25/h1-5,9-12,14-15,19,25H,6-8,13,16-18H2