N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)carbamoyl-prop-2-enyl-amino]-N-(phenylmethyl)ethanamide

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)carbamoyl-prop-2-enyl-amino]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl-[(4-nitrophenyl)carbamoyl]amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-2-[[(4-nitroanilino)-oxomethyl]-prop-2-enylamino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-nitrophenyl)carbamoyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[(4-nitrophenyl)carbamoyl]amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O4/c1-3-15-28(25(32)26-21-11-13-22(14-12-21)30(33)34)19-24(31)29(17-20-8-5-4-6-9-20)18-23-10-7-16-27(23)2/h3-14,16H,1,15,17-19H2,2H3,(H,26,32)