2-[(3-cyanophenyl)carbamoyl-prop-2-enyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(3-cyanophenyl)carbamoyl-prop-2-enyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl-[(3-cyanophenyl)carbamoyl]amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(3-cyanoanilino)-oxomethyl]-prop-2-enylamino]-N-[(1-methyl-2-pyrrolyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3-cyanophenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[allyl-[(3-cyanophenyl)carbamoyl]amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C26H27N5O2 MolecularWeight: 441.52488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C26H27N5O2/c1-3-14-30(26(33)28-23-12-7-11-22(16-23)17-27)20-25(32)31(18-21-9-5-4-6-10-21)19-24-13-8-15-29(24)2/h3-13,15-16H,1,14,18-20H2,2H3,(H,28,33)