1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]chromeno[4,3-c]pyrazol-4-one

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]chromeno[4,3-c]pyrazol-4-one Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]chromeno[4,3-c]pyrazol-4-one CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-4-[1]benzopyrano[4,3-c]pyrazolone IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]chromeno[4,3-c]pyrazol-4-one Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]chromeno[4,3-c]pyrazol-4-one Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=C(C=N2)C(=O)OC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=C(C=N2)C(=O)OC4=CC=CC=C43

InChI

InChI=1S/C18H19N3O3/c22-16(20-9-5-1-2-6-10-20)12-21-17-13-7-3-4-8-15(13)24-18(23)14(17)11-19-21/h3-4,7-8,11H,1-2,5-6,9-10,12H2