N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-morpholin-4-yl-quinoxaline-2-carboxamide

Systemtic Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-morpholin-4-yl-quinoxaline-2-carboxamide Openeye Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-morpholino-quinoxaline-2-carboxamide CAS Name: N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-3-(4-morpholinyl)-2-quinoxalinecarboxamide IUPAC Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-morpholin-4-ylquinoxaline-2-carboxamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-3-morpholino-quinoxaline-2-carboxamide Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3N5CCOCC5

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3N5CCOCC5

InChI

InChI=1S/C27H32N6O3/c1-19(2)27(35)33-13-11-31(12-14-33)21-9-7-20(8-10-21)28-26(34)24-25(32-15-17-36-18-16-32)30-23-6-4-3-5-22(23)29-24/h3-10,19H,11-18H2,1-2H3,(H,28,34)