4-[[3,5-bis(chloranyl)pyridin-4-yl]amino]-7-methoxy-8-(5-pyrrolidin-1-ylpentoxy)chromen-2-one

Systemtic Name: 4-[[3,5-bis(chloranyl)pyridin-4-yl]amino]-7-methoxy-8-(5-pyrrolidin-1-ylpentoxy)chromen-2-one Openeye Name: 4-[(3,5-dichloro-4-pyridyl)amino]-7-methoxy-8-(5-pyrrolidin-1-ylpentoxy)chromen-2-one CAS Name: 4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxy-8-[5-(1-pyrrolidinyl)pentoxy]-1-benzopyran-2-one IUPAC Name: 4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-8-(5-pyrrolidin-1-ylpentoxy)chromen-2-one Traditional Name: 4-[(3,5-dichloro-4-pyridyl)amino]-7-methoxy-8-(5-pyrrolidinopentoxy)coumarin Formula: C24H27Cl2N3O4 MolecularWeight: 492.39488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CC(=O)O2)NC3=C(C=NC=C3Cl)Cl)OCCCCCN4CCCC4

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=CC(=O)O2)NC3=C(C=NC=C3Cl)Cl)OCCCCCN4CCCC4

InChI

InChI=1S/C24H27Cl2N3O4/c1-31-20-8-7-16-19(28-22-17(25)14-27-15-18(22)26)13-21(30)33-23(16)24(20)32-12-6-2-3-9-29-10-4-5-11-29/h7-8,13-15H,2-6,9-12H2,1H3,(H,27,28)