N-butyl-4-methyl-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-butyl-4-methyl-N-[2-[(1-methylpyrrol-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxo-ethyl]-N-butyl-4-methyl-3-nitro-benzamide CAS Name: N-butyl-4-methyl-N-[2-[(1-methyl-2-pyrrolyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-butyl-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-N-butyl-4-methyl-3-nitro-benzamide Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O4/c1-4-5-16-29(27(33)23-14-13-21(2)25(17-23)31(34)35)20-26(32)30(18-22-10-7-6-8-11-22)19-24-12-9-15-28(24)3/h6-15,17H,4-5,16,18-20H2,1-3H3