6-chloranyl-2-[[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]carbonyl]chromen-4-one

Systemtic Name: 6-chloranyl-2-[[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]carbonyl]chromen-4-one Openeye Name: 6-chloro-2-[4-[2-(4-pyridyl)ethyl]-1,4-diazepane-1-carbonyl]chromen-4-one CAS Name: 6-chloro-2-[oxo-[4-(2-pyridin-4-ylethyl)-1,4-diazepan-1-yl]methyl]-1-benzopyran-4-one IUPAC Name: 6-chloro-2-[4-(2-pyridin-4-ylethyl)-1,4-diazepane-1-carbonyl]chromen-4-one Traditional Name: 6-chloro-2-[4-[2-(4-pyridyl)ethyl]-1,4-diazepane-1-carbonyl]chromone Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)CCC4=CC=NC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)CCC4=CC=NC=C4

InChI

InChI=1S/C22H22ClN3O3/c23-17-2-3-20-18(14-17)19(27)15-21(29-20)22(28)26-10-1-9-25(12-13-26)11-6-16-4-7-24-8-5-16/h2-5,7-8,14-15H,1,6,9-13H2