N-(diethylaminomethyl)-N-[5-(diethylamino)-1-phenyl-pentyl]-4-nitro-benzamide

Systemtic Name: N-(diethylaminomethyl)-N-[5-(diethylamino)-1-phenyl-pentyl]-4-nitro-benzamide Openeye Name: N-(diethylaminomethyl)-N-[5-(diethylamino)-1-phenyl-pentyl]-4-nitro-benzamide CAS Name: N-(diethylaminomethyl)-N-[5-(diethylamino)-1-phenylpentyl]-4-nitrobenzamide IUPAC Name: N-(diethylaminomethyl)-N-[5-(diethylamino)-1-phenylpentyl]-4-nitrobenzamide Traditional Name: N-(diethylaminomethyl)-N-[5-(diethylamino)-1-phenyl-pentyl]-4-nitro-benzamide Formula: C27H40N4O3 MolecularWeight: 468.6315

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCC(C1=CC=CC=C1)N(CN(CC)CC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCCCC(C1=CC=CC=C1)N(CN(CC)CC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C27H40N4O3/c1-5-28(6-2)21-13-12-16-26(23-14-10-9-11-15-23)30(22-29(7-3)8-4)27(32)24-17-19-25(20-18-24)31(33)34/h9-11,14-15,17-20,26H,5-8,12-13,16,21-22H2,1-4H3