N-butyl-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propan-2-yl-amino]-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: N-butyl-2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl-propan-2-yl-amino]-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: N-butyl-2-[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-butyl-2-[[(3-chloro-4-fluoroanilino)-oxomethyl]-propan-2-ylamino]-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: N-butyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: N-butyl-2-[(3-chloro-4-fluoro-phenyl)carbamoyl-isopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H30ClFN4O2 MolecularWeight: 436.950603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1C)C(=O)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCCN(CC1=CC=CN1C)C(=O)CN(C(C)C)C(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C22H30ClFN4O2/c1-5-6-12-27(14-18-8-7-11-26(18)4)21(29)15-28(16(2)3)22(30)25-17-9-10-20(24)19(23)13-17/h7-11,13,16H,5-6,12,14-15H2,1-4H3,(H,25,30)