N-[2-[[2-(4-chlorophenyl)-6-[4-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(2-oxo-1H-quinoline-4-carbonyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-(4-chlorophenyl)-6-[4-[oxo-(2-oxo-1H-quinolin-4-yl)methyl]-1-piperazinyl]-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(2-oxo-1H-quinoline-4-carbonyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-(4-chlorophenyl)-6-[4-(2-keto-1H-quinoline-4-carbonyl)piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C28H28ClN7O3 MolecularWeight: 546.02002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC(=O)NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC(=O)NC4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H28ClN7O3/c1-18(37)30-10-11-31-24-17-25(34-27(33-24)19-6-8-20(29)9-7-19)35-12-14-36(15-13-35)28(39)22-16-26(38)32-23-5-3-2-4-21(22)23/h2-9,16-17H,10-15H2,1H3,(H,30,37)(H,32,38)(H,31,33,34)