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

Systemtic Name: N-(3-ethoxypropyl)-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-(3-ethoxypropyl)-3-nitro-benzamide CAS Name: N-(3-ethoxypropyl)-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-(3-ethoxypropyl)-3-nitrobenzamide Traditional Name: N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-keto-ethyl]-N-(3-ethoxypropyl)-3-nitro-benzamide Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O5/c1-3-36-17-9-16-29(27(33)23-12-7-13-24(18-23)31(34)35)21-26(32)30(19-22-10-5-4-6-11-22)20-25-14-8-15-28(25)2/h4-8,10-15,18H,3,9,16-17,19-21H2,1-2H3