7-chloranyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-N-pyrrol-1-yl-quinolin-4-amine

Systemtic Name: 7-chloranyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-N-pyrrol-1-yl-quinolin-4-amine Openeye Name: 7-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-N-pyrrol-1-yl-quinolin-4-amine CAS Name: 7-chloro-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]but-2-ynyl]-N-(1-pyrrolyl)-4-quinolinamine IUPAC Name: 7-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]but-2-ynyl]-N-pyrrol-1-ylquinolin-4-amine Traditional Name: (7-chloro-4-quinolyl)-[4-[4-(2-methoxyphenyl)piperazino]but-2-ynyl]-pyrrol-1-yl-amine Formula: C28H28ClN5O MolecularWeight: 486.00782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CC#CCN(C3=C4C=CC(=CC4=NC=C3)Cl)N5C=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CC#CCN(C3=C4C=CC(=CC4=NC=C3)Cl)N5C=CC=C5

InChI

InChI=1S/C28H28ClN5O/c1-35-28-9-3-2-8-27(28)32-20-18-31(19-21-32)14-4-7-17-34(33-15-5-6-16-33)26-12-13-30-25-22-23(29)10-11-24(25)26/h2-3,5-6,8-13,15-16,22H,14,17-21H2,1H3