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

Systemtic Name: 2-(1-chloranyl-6,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Openeye Name: 2-(1-chloro-6,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol CAS Name: 2-(1-chloro-6,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol IUPAC Name: 2-(1-chloro-6,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-yl)phenol Traditional Name: 2-(1-chloro-6,11-diethoxy-5-methyl-10H-pyrimido[4,5-b][1,4]benzodiazocin-8-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=C3OCC)C4=CC=CC=C4O)C

Isomeric SMILES

CCOC1=NC2=C(N=CN=C2Cl)N(C3=C(C1)C=C(C=C3OCC)C4=CC=CC=C4O)C

InChI

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