N-butyl-2-[(3-fluorophenyl)carbamoyl-propan-2-yl-amino]-N-[(1-methylpyrrol-2-yl)methyl]ethanamide

Systemtic Name: N-butyl-2-[(3-fluorophenyl)carbamoyl-propan-2-yl-amino]-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: N-butyl-2-[(3-fluorophenyl)carbamoyl-isopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-butyl-2-[[(3-fluoroanilino)-oxomethyl]-propan-2-ylamino]-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: N-butyl-2-[(3-fluorophenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: N-butyl-2-[(3-fluorophenyl)carbamoyl-isopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H31FN4O2 MolecularWeight: 402.505543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31FN4O2/c1-5-6-13-26(15-20-11-8-12-25(20)4)21(28)16-27(17(2)3)22(29)24-19-10-7-9-18(23)14-19/h7-12,14,17H,5-6,13,15-16H2,1-4H3,(H,24,29)