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

Systemtic Name: N-butyl-2-[(3-cyanophenyl)carbamoyl-propan-2-yl-amino]-N-[(1-methylpyrrol-2-yl)methyl]ethanamide Openeye Name: N-butyl-2-[(3-cyanophenyl)carbamoyl-isopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-butyl-2-[[(3-cyanoanilino)-oxomethyl]-propan-2-ylamino]-N-[(1-methyl-2-pyrrolyl)methyl]acetamide IUPAC Name: N-butyl-2-[(3-cyanophenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: N-butyl-2-[(3-cyanophenyl)carbamoyl-isopropyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C23H31N5O2 MolecularWeight: 409.52454

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2/c1-5-6-13-27(16-21-11-8-12-26(21)4)22(29)17-28(18(2)3)23(30)25-20-10-7-9-19(14-20)15-24/h7-12,14,18H,5-6,13,16-17H2,1-4H3,(H,25,30)