N-[(4-butylphenyl)methyl]-2-cycloheptyl-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)heptanamide

Systemtic Name: N-[(4-butylphenyl)methyl]-2-cycloheptyl-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)heptanamide Openeye Name: N-[(4-butylphenyl)methyl]-2-cycloheptyl-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)heptanamide CAS Name: N-[(4-butylphenyl)methyl]-2-cycloheptyl-6-(3-phenyl-1-pyrrolo[2,3-b]pyridinyl)heptanamide IUPAC Name: N-[(4-butylphenyl)methyl]-2-cycloheptyl-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)heptanamide Traditional Name: N-(4-butylbenzyl)-2-cycloheptyl-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)enanthamide Formula: C38H49N3O MolecularWeight: 563.81516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CNC(=O)C(CCCC(C)N2C=C(C3=C2N=CC=C3)C4=CC=CC=C4)C5CCCCCC5

Isomeric SMILES

CCCCC1=CC=C(C=C1)CNC(=O)C(CCCC(C)N2C=C(C3=C2N=CC=C3)C4=CC=CC=C4)C5CCCCCC5

InChI

InChI=1S/C38H49N3O/c1-3-4-15-30-22-24-31(25-23-30)27-40-38(42)34(32-16-8-5-6-9-17-32)20-12-14-29(2)41-28-36(33-18-10-7-11-19-33)35-21-13-26-39-37(35)41/h7,10-11,13,18-19,21-26,28-29,32,34H,3-6,8-9,12,14-17,20,27H2,1-2H3,(H,40,42)