2-(1-chloranyl-8,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol

Systemtic Name: 2-(1-chloranyl-8,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Openeye Name: 2-(1-chloro-8,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol CAS Name: 2-(1-chloro-8,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol IUPAC Name: 2-(1-chloro-8,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Traditional Name: 2-(1-chloro-8,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-6-yl)phenol Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3C4=CC=CC=C4O)OCC)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3C4=CC=CC=C4O)OCC)C

InChI

InChI=1S/C23H23ClN4O3/c1-4-30-15-10-14-11-19(31-5-2)27-20-22(24)25-13-26-23(20)28(3)21(14)17(12-15)16-8-6-7-9-18(16)29/h6-10,12-13,29H,4-5,11H2,1-3H3