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

Systemtic Name: N-[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]-3-nitro-4-piperidino-benzamide Formula: C29H33N7O3 MolecularWeight: 527.61742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN(CC)C1=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/C29H33N7O3/c1-4-33(5-2)22-10-12-23(13-11-22)35-31-25-17-20(3)24(19-26(25)32-35)30-29(37)21-9-14-27(28(18-21)36(38)39)34-15-7-6-8-16-34/h9-14,17-19H,4-8,15-16H2,1-3H3,(H,30,37)