6,11-bis(oxidanylidene)-2-pyridin-4-yl-naphtho[2,3-b]indolizine-12-carbonitrile hydrate

Systemtic Name: 6,11-bis(oxidanylidene)-2-pyridin-4-yl-naphtho[2,3-b]indolizine-12-carbonitrile hydrate Openeye Name: 6,11-dioxo-2-(4-pyridyl)naphtho[2,3-b]indolizine-12-carbonitrile hydrate CAS Name: 6,11-dioxo-2-pyridin-4-yl-12-naphtho[2,3-b]indolizinecarbonitrile hydrate IUPAC Name: 6,11-dioxo-2-pyridin-4-ylnaphtho[2,3-b]indolizine-12-carbonitrile hydrate Traditional Name: 6,11-diketo-2-(4-pyridyl)naphth[2,3-b]indolizine-12-carbonitrile hydrate Formula: C22H13N3O3 MolecularWeight: 367.35692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N4C=CC(=CC4=C3C#N)C5=CC=NC=C5.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N4C=CC(=CC4=C3C#N)C5=CC=NC=C5.O

InChI

InChI=1S/C22H11N3O2.H2O/c23-12-17-18-11-14(13-5-8-24-9-6-13)7-10-25(18)20-19(17)21(26)15-3-1-2-4-16(15)22(20)27;/h1-11H;1H2