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

Systemtic Name: 2-[(3-ethylphenyl)carbamoyl-prop-2-enyl-amino]-N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl-[(3-ethylphenyl)carbamoyl]amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: 2-[[(3-ethylanilino)-oxomethyl]-prop-2-enylamino]-N-[(1-methyl-2-pyrrolyl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3-ethylphenyl)carbamoyl-prop-2-enylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[allyl-[(3-ethylphenyl)carbamoyl]amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CN3C

InChI

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