1,3-dimethyl-2-oxidanylidene-N-[2-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide

Systemtic Name: 1,3-dimethyl-2-oxidanylidene-N-[2-[4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide Openeye Name: 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidyl]ethyl]quinoxaline-6-carboxamide CAS Name: 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinyl]ethyl]-6-quinoxalinecarboxamide IUPAC Name: 1,3-dimethyl-2-oxo-N-[2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]ethyl]quinoxaline-6-carboxamide Traditional Name: 2-keto-N-[2-[4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidino]ethyl]-1,3-dimethyl-quinoxaline-6-carboxamide Formula: C27H32N6O3 MolecularWeight: 488.58138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCC(CC3)N4CCC5=CC=CC=C5NC4=O)N(C1=O)C

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCCN3CCC(CC3)N4CCC5=CC=CC=C5NC4=O)N(C1=O)C

InChI

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