N-[3-[5-[[(2R)-4-azanyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]furan-2-yl]phenyl]-2,3-dimethyl-quinoxaline-6-carboxamide

Systemtic Name: N-[3-[5-[[(2R)-4-azanyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]furan-2-yl]phenyl]-2,3-dimethyl-quinoxaline-6-carboxamide Openeye Name: N-[3-[5-[[(1R)-3-amino-1-(piperazine-1-carbonyl)propyl]carbamoyl]-2-furyl]phenyl]-2,3-dimethyl-quinoxaline-6-carboxamide CAS Name: N-[3-[5-[[[(2R)-4-amino-1-oxo-1-(1-piperazinyl)butan-2-yl]amino]-oxomethyl]-2-furanyl]phenyl]-2,3-dimethyl-6-quinoxalinecarboxamide IUPAC Name: N-[3-[5-[[(2R)-4-amino-1-oxo-1-piperazin-1-ylbutan-2-yl]carbamoyl]furan-2-yl]phenyl]-2,3-dimethylquinoxaline-6-carboxamide Traditional Name: N-[3-[5-[[(1R)-3-amino-1-(piperazine-1-carbonyl)propyl]carbamoyl]-2-furyl]phenyl]-2,3-dimethyl-quinoxaline-6-carboxamide Formula: C30H33N7O4 MolecularWeight: 555.62752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=CC=C(O4)C(=O)NC(CCN)C(=O)N5CCNCC5)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=CC=C(O4)C(=O)N[C@H](CCN)C(=O)N5CCNCC5)N=C1C

InChI

InChI=1S/C30H33N7O4/c1-18-19(2)34-25-17-21(6-7-23(25)33-18)28(38)35-22-5-3-4-20(16-22)26-8-9-27(41-26)29(39)36-24(10-11-31)30(40)37-14-12-32-13-15-37/h3-9,16-17,24,32H,10-15,31H2,1-2H3,(H,35,38)(H,36,39)/t24-/m1/s1