1-(azepan-1-yl)-3-[3-oxidanylidene-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-4H-quinoxalin-6-yl]urea

Systemtic Name: 1-(azepan-1-yl)-3-[3-oxidanylidene-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-4H-quinoxalin-6-yl]urea Openeye Name: 1-(azepan-1-yl)-3-[2-(1-isopropylpyrrolo[2,3-b]pyridin-3-yl)-3-oxo-4H-quinoxalin-6-yl]urea CAS Name: 1-(1-azepanyl)-3-[3-oxo-2-(1-propan-2-yl-3-pyrrolo[2,3-b]pyridinyl)-4H-quinoxalin-6-yl]urea IUPAC Name: 1-(azepan-1-yl)-3-[3-oxo-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-4H-quinoxalin-6-yl]urea Traditional Name: 1-(azepan-1-yl)-3-[2-(1-isopropylpyrrolo[2,3-b]pyridin-3-yl)-3-keto-4H-quinoxalin-6-yl]urea Formula: C25H29N7O2 MolecularWeight: 459.54346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1N=CC=C2)C3=NC4=C(C=C(C=C4)NC(=O)NN5CCCCCC5)NC3=O

Isomeric SMILES

CC(C)N1C=C(C2=C1N=CC=C2)C3=NC4=C(C=C(C=C4)NC(=O)NN5CCCCCC5)NC3=O

InChI

InChI=1S/C25H29N7O2/c1-16(2)32-15-19(18-8-7-11-26-23(18)32)22-24(33)29-21-14-17(9-10-20(21)28-22)27-25(34)30-31-12-5-3-4-6-13-31/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,29,33)(H2,27,30,34)