[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-phenylpiperazino)methanone Formula: C27H23N3O3 MolecularWeight: 437.48982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H23N3O3/c31-27(30-14-12-29(13-15-30)20-6-2-1-3-7-20)22-17-24(28-23-9-5-4-8-21(22)23)19-10-11-25-26(16-19)33-18-32-25/h1-11,16-17H,12-15,18H2