6-(3-chlorophenyl)-4-[[1-[(E)-2-phenylethenyl]piperidin-4-yl]amino]chromen-2-one

Systemtic Name: 6-(3-chlorophenyl)-4-[[1-[(E)-2-phenylethenyl]piperidin-4-yl]amino]chromen-2-one Openeye Name: 6-(3-chlorophenyl)-4-[[1-[(E)-styryl]-4-piperidyl]amino]chromen-2-one CAS Name: 6-(3-chlorophenyl)-4-[[1-[(E)-2-phenylethenyl]-4-piperidinyl]amino]-1-benzopyran-2-one IUPAC Name: 6-(3-chlorophenyl)-4-[[1-[(E)-2-phenylethenyl]piperidin-4-yl]amino]chromen-2-one Traditional Name: 6-(3-chlorophenyl)-4-[[1-[(E)-styryl]-4-piperidyl]amino]coumarin Formula: C28H25ClN2O2 MolecularWeight: 456.9633

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)C4=CC(=CC=C4)Cl)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)C4=CC(=CC=C4)Cl)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN2O2/c29-23-8-4-7-21(17-23)22-9-10-27-25(18-22)26(19-28(32)33-27)30-24-12-15-31(16-13-24)14-11-20-5-2-1-3-6-20/h1-11,14,17-19,24,30H,12-13,15-16H2/b14-11+