[7-[[3-(isoquinolin-4-ylmethoxy)phenyl]carbonylamino]-3,4-dihydro-2H-quinolin-1-yl]-methanoyl-boron

Systemtic Name: [7-[[3-(isoquinolin-4-ylmethoxy)phenyl]carbonylamino]-3,4-dihydro-2H-quinolin-1-yl]-methanoyl-boron Openeye Name: formyl-[7-[[3-(4-isoquinolylmethoxy)benzoyl]amino]-3,4-dihydro-2H-quinolin-1-yl]boron CAS Name: formyl-[7-[[[3-(4-isoquinolinylmethoxy)phenyl]-oxomethyl]amino]-3,4-dihydro-2H-quinolin-1-yl]boron IUPAC Name: formyl-[7-[[3-(isoquinolin-4-ylmethoxy)benzoyl]amino]-3,4-dihydro-2H-quinolin-1-yl]boron Traditional Name: formyl-[7-[[3-(4-isoquinolylmethoxy)benzoyl]amino]-3,4-dihydro-2H-quinolin-1-yl]boron Formula: C27H23BN3O3 MolecularWeight: 448.30082

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Descriptors Computed from Structure

Canonical SMILES:

[B](C=O)N1CCCC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC4=CN=CC5=CC=CC=C54

Isomeric SMILES

[B](C=O)N1CCCC2=C1C=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC4=CN=CC5=CC=CC=C54

InChI

InChI=1S/C27H23BN3O3/c32-18-28-31-12-4-7-19-10-11-23(14-26(19)31)30-27(33)20-6-3-8-24(13-20)34-17-22-16-29-15-21-5-1-2-9-25(21)22/h1-3,5-6,8-11,13-16,18H,4,7,12,17H2,(H,30,33)