4-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-naphthalen-2-yl-3-nitro-benzamide

Systemtic Name: 4-[4-[2-(diethylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-naphthalen-2-yl-3-nitro-benzamide Openeye Name: 4-[4-[2-(diethylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(2-naphthyl)-3-nitro-benzamide CAS Name: 4-[4-[2-(diethylamino)-2-oxoethyl]-1-piperazinyl]-N-(2-naphthalenyl)-3-nitrobenzamide IUPAC Name: 4-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-naphthalen-2-yl-3-nitrobenzamide Traditional Name: 4-[4-[2-(diethylamino)-2-keto-ethyl]piperazino]-N-(2-naphthyl)-3-nitro-benzamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O4/c1-3-30(4-2)26(33)19-29-13-15-31(16-14-29)24-12-10-22(18-25(24)32(35)36)27(34)28-23-11-9-20-7-5-6-8-21(20)17-23/h5-12,17-18H,3-4,13-16,19H2,1-2H3,(H,28,34)