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

Systemtic Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(4-ethylphenyl)-6-methyl-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(4-ethylphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-4-piperidino-benzamide Formula: C27H28N6O3 MolecularWeight: 484.54962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

InChI

InChI=1S/C27H28N6O3/c1-3-19-7-10-21(11-8-19)32-29-23-15-18(2)22(17-24(23)30-32)28-27(34)20-9-12-25(26(16-20)33(35)36)31-13-5-4-6-14-31/h7-12,15-17H,3-6,13-14H2,1-2H3,(H,28,34)