3-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-methyl-1-propan-2-yl-urea

Systemtic Name: 3-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-methyl-1-propan-2-yl-urea Openeye Name: 3-[3-(1-butyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-isopropyl-1-methyl-urea CAS Name: 3-[3-(1-butyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-methyl-1-propan-2-ylurea IUPAC Name: 3-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-methyl-1-propan-2-ylurea Traditional Name: 3-[3-(1-butyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-isopropyl-1-methyl-urea Formula: C21H33N5O MolecularWeight: 371.51962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=O)N(C)C(C)C

Isomeric SMILES

CCCCN1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=O)N(C)C(C)C

InChI

InChI=1S/C21H33N5O/c1-5-6-11-26-12-9-16(10-13-26)17-14-22-18-7-8-19(23-20(17)18)24-21(27)25(4)15(2)3/h7-8,14-16,22H,5-6,9-13H2,1-4H3,(H,23,24,27)