3-phenyl-6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one

Systemtic Name: 3-phenyl-6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-phenyl-6-[4-(8-quinolylmethyl)piperazine-1-carbonyl]isochroman-1-one CAS Name: 6-[oxo-[4-(8-quinolinylmethyl)-1-piperazinyl]methyl]-3-phenyl-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-phenyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-phenyl-6-[4-(8-quinolylmethyl)piperazine-1-carbonyl]isochroman-1-one Formula: C30H27N3O3 MolecularWeight: 477.55368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CC5=C(C=C4)C(=O)OC(C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CC5=C(C=C4)C(=O)OC(C5)C6=CC=CC=C6

InChI

InChI=1S/C30H27N3O3/c34-29(23-11-12-26-25(18-23)19-27(36-30(26)35)21-6-2-1-3-7-21)33-16-14-32(15-17-33)20-24-9-4-8-22-10-5-13-31-28(22)24/h1-13,18,27H,14-17,19-20H2