N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[4-(2,3-dimethylphenyl)piperazino]-3-keto-propyl]-4-nitro-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N4O4/c1-16-4-3-5-20(17(16)2)24-12-14-25(15-13-24)21(27)10-11-23-22(28)18-6-8-19(9-7-18)26(29)30/h3-9H,10-15H2,1-2H3,(H,23,28)