N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-nitro-N-propyl-benzamide

Systemtic Name: N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-nitro-N-propyl-benzamide Openeye Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-4-nitro-N-propyl-benzamide CAS Name: N-[2-[(1-methyl-2-pyrrolyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-4-nitro-N-propylbenzamide IUPAC Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-nitro-N-propylbenzamide Traditional Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-4-nitro-N-propyl-benzamide Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O4/c1-3-15-27(25(31)21-11-13-22(14-12-21)29(32)33)19-24(30)28(17-20-8-5-4-6-9-20)18-23-10-7-16-26(23)2/h4-14,16H,3,15,17-19H2,1-2H3