[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(4-ethylphenyl)quinolin-4-yl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(4-ethylphenyl)quinolin-4-yl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(4-ethylphenyl)-4-quinolyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[2-(4-ethylphenyl)-4-quinolinyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(4-ethylphenyl)quinolin-4-yl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[2-(4-ethylphenyl)-4-quinolyl]methanone Formula: C30H31N3O MolecularWeight: 449.58664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC(=C5C)C

InChI

InChI=1S/C30H31N3O/c1-4-23-12-14-24(15-13-23)28-20-26(25-9-5-6-10-27(25)31-28)30(34)33-18-16-32(17-19-33)29-11-7-8-21(2)22(29)3/h5-15,20H,4,16-19H2,1-3H3