N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]cycloheptanecarboxamide; 2-phenylpropanoic acid

Systemtic Name: N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]cycloheptanecarboxamide; 2-phenylpropanoic acid Openeye Name: N-[3-(1-butyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]cycloheptanecarboxamide; 2-phenylpropanoic acid CAS Name: N-[3-(1-butyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]cycloheptanecarboxamide; 2-phenylpropanoic acid IUPAC Name: N-[3-(1-butylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]cycloheptanecarboxamide; 2-phenylpropanoic acid Traditional Name: N-[3-(1-butyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]cycloheptanecarboxamide; hydratropic acid Formula: C33H46N4O3 MolecularWeight: 546.74334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=O)C4CCCCCC4.CC(C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCN1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=O)C4CCCCCC4.CC(C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C24H36N4O.C9H10O2/c1-2-3-14-28-15-12-18(13-16-28)20-17-25-21-10-11-22(26-23(20)21)27-24(29)19-8-6-4-5-7-9-19;1-7(9(10)11)8-5-3-2-4-6-8/h10-11,17-19,25H,2-9,12-16H2,1H3,(H,26,27,29);2-7H,1H3,(H,10,11)