1-quinolin-6-yl-9H-pyrido[3,4-b]indole hydrate

Systemtic Name: 1-quinolin-6-yl-9H-pyrido[3,4-b]indole hydrate Openeye Name: 1-(6-quinolyl)-9H-pyrido[3,4-b]indole hydrate CAS Name: 1-(6-quinolinyl)-9H-pyrido[3,4-b]indole hydrate IUPAC Name: 1-quinolin-6-yl-9H-pyrido[3,4-b]indole hydrate Traditional Name: 1-(6-quinolyl)-9H-$b-carboline hydrate Formula: C40H28N6O MolecularWeight: 608.68992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC5=C(C=C4)N=CC=C5.C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC5=C(C=C4)N=CC=C5.O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC5=C(C=C4)N=CC=C5.C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC5=C(C=C4)N=CC=C5.O

InChI

InChI=1S/2C20H13N3.H2O/c2*1-2-6-18-15(5-1)16-9-11-22-19(20(16)23-18)14-7-8-17-13(12-14)4-3-10-21-17;/h2*1-12,23H;1H2