N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-3-nitro-4-piperidino-benzamide Formula: C28H29ClN6O3 MolecularWeight: 533.02126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H29ClN6O3/c1-2-3-7-19-8-11-21(12-9-19)34-31-24-17-22(29)23(18-25(24)32-34)30-28(36)20-10-13-26(27(16-20)35(37)38)33-14-5-4-6-15-33/h8-13,16-18H,2-7,14-15H2,1H3,(H,30,36)