4-[3-[methyl-(phenylmethyl)amino]propylamino]-3-nitro-N-(4-propan-2-ylphenyl)benzamide

Systemtic Name: 4-[3-[methyl-(phenylmethyl)amino]propylamino]-3-nitro-N-(4-propan-2-ylphenyl)benzamide Openeye Name: 4-[3-[benzyl(methyl)amino]propylamino]-N-(4-isopropylphenyl)-3-nitro-benzamide CAS Name: 4-[3-[methyl-(phenylmethyl)amino]propylamino]-3-nitro-N-(4-propan-2-ylphenyl)benzamide IUPAC Name: 4-[3-[benzyl(methyl)amino]propylamino]-3-nitro-N-(4-propan-2-ylphenyl)benzamide Traditional Name: 4-[3-[benzyl(methyl)amino]propylamino]-3-nitro-N-p-cumenyl-benzamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCCN(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCCN(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O3/c1-20(2)22-10-13-24(14-11-22)29-27(32)23-12-15-25(26(18-23)31(33)34)28-16-7-17-30(3)19-21-8-5-4-6-9-21/h4-6,8-15,18,20,28H,7,16-17,19H2,1-3H3,(H,29,32)