7-chloranyl-3-ethyl-4-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one

Systemtic Name: 7-chloranyl-3-ethyl-4-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one Openeye Name: 7-chloro-3-ethyl-4-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one CAS Name: 7-chloro-3-ethyl-4-phenyl-6-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-chloro-3-ethyl-4-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]chromen-2-one Traditional Name: 7-chloro-3-ethyl-4-phenyl-6-[(4-phenylpiperazino)methyl]coumarin Formula: C28H27ClN2O2 MolecularWeight: 458.97918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC(=C(C=C2OC1=O)Cl)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC1=C(C2=CC(=C(C=C2OC1=O)Cl)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H27ClN2O2/c1-2-23-27(20-9-5-3-6-10-20)24-17-21(25(29)18-26(24)33-28(23)32)19-30-13-15-31(16-14-30)22-11-7-4-8-12-22/h3-12,17-18H,2,13-16,19H2,1H3