4-(cyclopropylamino)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[[4-(diethylaminomethyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[4-(diethylaminomethyl)benzyl]-3-nitro-benzamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-3-25(4-2)15-17-7-5-16(6-8-17)14-23-22(27)18-9-12-20(24-19-10-11-19)21(13-18)26(28)29/h5-9,12-13,19,24H,3-4,10-11,14-15H2,1-2H3,(H,23,27)