butanedioic acid; 1-hexyl-3-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea

Systemtic Name: butanedioic acid; 1-hexyl-3-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea Openeye Name: 1-hexyl-3-[3-(1-propyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea; succinic acid CAS Name: butanedioic acid; 1-hexyl-3-[3-(1-propyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea IUPAC Name: butanedioic acid; 1-hexyl-3-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea Traditional Name: 1-hexyl-3-[3-(1-propyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]urea; succinic acid Formula: C26H41N5O5 MolecularWeight: 503.63424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC1=NC2=C(C=C1)NC=C2C3CCN(CC3)CCC.C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCNC(=O)NC1=NC2=C(C=C1)NC=C2C3CCN(CC3)CCC.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C22H35N5O.C4H6O4/c1-3-5-6-7-12-23-22(28)26-20-9-8-19-21(25-20)18(16-24-19)17-10-14-27(13-4-2)15-11-17;5-3(6)1-2-4(7)8/h8-9,16-17,24H,3-7,10-15H2,1-2H3,(H2,23,25,26,28);1-2H2,(H,5,6)(H,7,8)