2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-phenyl-5-piperazin-1-yl-quinolin-2-yl]sulfanylethanal

Systemtic Name: 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-phenyl-5-piperazin-1-yl-quinolin-2-yl]sulfanylethanal Openeye Name: 2-[[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-phenyl-5-piperazin-1-yl-2-quinolyl]sulfanyl]acetaldehyde CAS Name: 2-[[4-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]-3-phenyl-5-(1-piperazinyl)-2-quinolinyl]thio]acetaldehyde IUPAC Name: 2-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-phenyl-5-piperazin-1-ylquinolin-2-yl]sulfanylacetaldehyde Traditional Name: 2-[[4-[(E)-3-(4-methoxyphenyl)acryloyl]-3-phenyl-5-piperazino-2-quinolyl]thio]acetaldehyde Formula: C31H29N3O3S MolecularWeight: 523.64526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)C2=C3C(=NC(=C2C4=CC=CC=C4)SCC=O)C=CC=C3N5CCNCC5

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)C2=C3C(=NC(=C2C4=CC=CC=C4)SCC=O)C=CC=C3N5CCNCC5

InChI

InChI=1S/C31H29N3O3S/c1-37-24-13-10-22(11-14-24)12-15-27(36)30-28(23-6-3-2-4-7-23)31(38-21-20-35)33-25-8-5-9-26(29(25)30)34-18-16-32-17-19-34/h2-15,20,32H,16-19,21H2,1H3/b15-12+