(1S,4R)-1-phenyl-4-(4-phenylpiperazin-1-yl)-1,4-dihydroisochromen-3-one

Systemtic Name: (1S,4R)-1-phenyl-4-(4-phenylpiperazin-1-yl)-1,4-dihydroisochromen-3-one Openeye Name: (1S,4R)-1-phenyl-4-(4-phenylpiperazin-1-yl)isochroman-3-one CAS Name: (1S,4R)-1-phenyl-4-(4-phenyl-1-piperazinyl)-3,4-dihydro-1H-2-benzopyran-3-one IUPAC Name: (1S,4R)-1-phenyl-4-(4-phenylpiperazin-1-yl)-1,4-dihydroisochromen-3-one Traditional Name: (1S,4R)-1-phenyl-4-(4-phenylpiperazino)isochroman-3-one Formula: C25H24N2O2 MolecularWeight: 384.47026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3=CC=CC=C3C(OC2=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1[C@@H]2C3=CC=CC=C3[C@@H](OC2=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N2O2/c28-25-23(27-17-15-26(16-18-27)20-11-5-2-6-12-20)21-13-7-8-14-22(21)24(29-25)19-9-3-1-4-10-19/h1-14,23-24H,15-18H2/t23-,24+/m1/s1