N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]-3-[(4-thiophen-2-ylphenyl)methylamino]propanamide

Systemtic Name: N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]-3-[(4-thiophen-2-ylphenyl)methylamino]propanamide Openeye Name: N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]-3-[[4-(2-thienyl)phenyl]methylamino]propanamide CAS Name: N-[1-[2-(1-pyrrolidinyl)ethyl]-6-indazolyl]-3-[(4-thiophen-2-ylphenyl)methylamino]propanamide IUPAC Name: N-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]-3-[(4-thiophen-2-ylphenyl)methylamino]propanamide Traditional Name: N-[1-(2-pyrrolidinoethyl)indazol-6-yl]-3-[[4-(2-thienyl)benzyl]amino]propionamide Formula: C27H31N5OS MolecularWeight: 473.63294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN2C3=C(C=CC(=C3)NC(=O)CCNCC4=CC=C(C=C4)C5=CC=CS5)C=N2

Isomeric SMILES

C1CCN(C1)CCN2C3=C(C=CC(=C3)NC(=O)CCNCC4=CC=C(C=C4)C5=CC=CS5)C=N2

InChI

InChI=1S/C27H31N5OS/c33-27(11-12-28-19-21-5-7-22(8-6-21)26-4-3-17-34-26)30-24-10-9-23-20-29-32(25(23)18-24)16-15-31-13-1-2-14-31/h3-10,17-18,20,28H,1-2,11-16,19H2,(H,30,33)