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

Systemtic Name: 2-[(2-ethylphenyl)carbamoyl-prop-2-enyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl-[(2-ethylphenyl)carbamoyl]amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(2-ethylanilino)-oxomethyl]-prop-2-enylamino]-N-[(1-methyl-2-pyrrolyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2-ethylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[allyl-[(2-ethylphenyl)carbamoyl]amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

InChI

InChI=1S/C27H32N4O2/c1-4-17-30(27(33)28-25-16-10-9-14-23(25)5-2)21-26(32)31(19-22-12-7-6-8-13-22)20-24-15-11-18-29(24)3/h4,6-16,18H,1,5,17,19-21H2,2-3H3,(H,28,33)