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

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(phenylmethyl)-2-[(phenylmethyl)carbamoyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl(benzylcarbamoyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-2-[[oxo-[(phenylmethyl)amino]methyl]-prop-2-enylamino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[benzylcarbamoyl(prop-2-enyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide Traditional Name: 2-[allyl(benzylcarbamoyl)amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C26H30N4O2 MolecularWeight: 430.542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H30N4O2/c1-3-16-29(26(32)27-18-22-11-6-4-7-12-22)21-25(31)30(19-23-13-8-5-9-14-23)20-24-15-10-17-28(24)2/h3-15,17H,1,16,18-21H2,2H3,(H,27,32)