2-[7-chloranyl-2-oxidanylidene-6-[(4-phenylpiperazin-1-yl)methyl]-4-pyridin-3-yl-chromen-3-yl]ethanoate

Systemtic Name: 2-[7-chloranyl-2-oxidanylidene-6-[(4-phenylpiperazin-1-yl)methyl]-4-pyridin-3-yl-chromen-3-yl]ethanoate Openeye Name: 2-[7-chloro-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4-(3-pyridyl)chromen-3-yl]acetate CAS Name: 2-[7-chloro-2-oxo-6-[(4-phenyl-1-piperazinyl)methyl]-4-(3-pyridinyl)-1-benzopyran-3-yl]acetate IUPAC Name: 2-[7-chloro-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4-pyridin-3-ylchromen-3-yl]acetate Traditional Name: 2-[7-chloro-2-keto-6-[(4-phenylpiperazino)methyl]-4-(3-pyridyl)chromen-3-yl]acetate Formula: C27H23ClN3O4- MolecularWeight: 488.94222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=C3C(=C2)C(=C(C(=O)O3)CC(=O)[O-])C4=CN=CC=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=C(C=C3C(=C2)C(=C(C(=O)O3)CC(=O)[O-])C4=CN=CC=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H24ClN3O4/c28-23-15-24-21(26(18-5-4-8-29-16-18)22(14-25(32)33)27(34)35-24)13-19(23)17-30-9-11-31(12-10-30)20-6-2-1-3-7-20/h1-8,13,15-16H,9-12,14,17H2,(H,32,33)/p-1