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

Systemtic Name: N-[2-(4-butylphenyl)-6-chloranyl-benzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[2-(4-butylphenyl)-6-chloro-5-benzotriazolyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[2-(4-butylphenyl)-6-chlorobenzotriazol-5-yl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[2-(4-butylphenyl)-6-chloro-benzotriazol-5-yl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C29H31ClN6O3 MolecularWeight: 547.04784

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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)N5CCC(CC5)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=CC(=C(C=C4)N5CCC(CC5)C)[N+](=O)[O-]

InChI

InChI=1S/C29H31ClN6O3/c1-3-4-5-20-6-9-22(10-7-20)35-32-25-17-23(30)24(18-26(25)33-35)31-29(37)21-8-11-27(28(16-21)36(38)39)34-14-12-19(2)13-15-34/h6-11,16-19H,3-5,12-15H2,1-2H3,(H,31,37)