N-[4-di(propan-2-yloxy)boranylphenyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzamide

Systemtic Name: N-[4-di(propan-2-yloxy)boranylphenyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzamide Openeye Name: N-(4-diisopropoxyboranylphenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)benzamide CAS Name: N-[4-di(propan-2-yloxy)boranylphenyl]-4-methoxy-3-(4-methyl-1-piperazinyl)benzamide IUPAC Name: N-[4-di(propan-2-yloxy)boranylphenyl]-4-methoxy-3-(4-methylpiperazin-1-yl)benzamide Traditional Name: N-(4-diisopropoxyboranylphenyl)-4-methoxy-3-(4-methylpiperazino)benzamide Formula: C25H36BN3O4 MolecularWeight: 453.38204

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C)(OC(C)C)OC(C)C

Isomeric SMILES

B(C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C)(OC(C)C)OC(C)C

InChI

InChI=1S/C25H36BN3O4/c1-18(2)32-26(33-19(3)4)21-8-10-22(11-9-21)27-25(30)20-7-12-24(31-6)23(17-20)29-15-13-28(5)14-16-29/h7-12,17-19H,13-16H2,1-6H3,(H,27,30)