3-nitro-4-phenylazanyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

Systemtic Name: 3-nitro-4-phenylazanyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide Openeye Name: 4-anilino-3-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide CAS Name: 4-anilino-3-nitro-N-[2-(4-phenyl-1-piperazinyl)ethyl]benzamide IUPAC Name: 4-anilino-3-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide Traditional Name: 4-anilino-3-nitro-N-[2-(4-phenylpiperazino)ethyl]benzamide Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O3/c31-25(26-13-14-28-15-17-29(18-16-28)22-9-5-2-6-10-22)20-11-12-23(24(19-20)30(32)33)27-21-7-3-1-4-8-21/h1-12,19,27H,13-18H2,(H,26,31)