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

Systemtic Name: N-[3-[5-[[(2R)-4-azanyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]furan-2-yl]phenyl]quinoline-3-carboxamide Openeye Name: N-[3-[5-[[(1R)-3-amino-1-(piperazine-1-carbonyl)propyl]carbamoyl]-2-furyl]phenyl]quinoline-3-carboxamide CAS Name: N-[3-[5-[[[(2R)-4-amino-1-oxo-1-(1-piperazinyl)butan-2-yl]amino]-oxomethyl]-2-furanyl]phenyl]-3-quinolinecarboxamide IUPAC Name: N-[3-[5-[[(2R)-4-amino-1-oxo-1-piperazin-1-ylbutan-2-yl]carbamoyl]furan-2-yl]phenyl]quinoline-3-carboxamide Traditional Name: N-[3-[5-[[(1R)-3-amino-1-(piperazine-1-carbonyl)propyl]carbamoyl]-2-furyl]phenyl]quinoline-3-carboxamide Formula: C29H30N6O4 MolecularWeight: 526.5863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C(CCN)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)NC(=O)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

C1CN(CCN1)C(=O)[C@@H](CCN)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)NC(=O)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C29H30N6O4/c30-11-10-24(29(38)35-14-12-31-13-15-35)34-28(37)26-9-8-25(39-26)20-5-3-6-22(17-20)33-27(36)21-16-19-4-1-2-7-23(19)32-18-21/h1-9,16-18,24,31H,10-15,30H2,(H,33,36)(H,34,37)/t24-/m1/s1