[4-[4-(3-carbamimidoylphenyl)-3-oxidanylidene-1,5-dihydro-2,4-benzodiazepin-2-yl]piperidin-1-yl]boron

Systemtic Name: [4-[4-(3-carbamimidoylphenyl)-3-oxidanylidene-1,5-dihydro-2,4-benzodiazepin-2-yl]piperidin-1-yl]boron Openeye Name: [4-[4-(3-carbamimidoylphenyl)-3-oxo-1,5-dihydro-2,4-benzodiazepin-2-yl]-1-piperidyl]boron CAS Name: [4-[4-(3-carbamimidoylphenyl)-3-oxo-1,5-dihydro-2,4-benzodiazepin-2-yl]-1-piperidinyl]boron IUPAC Name: [4-[4-(3-carbamimidoylphenyl)-3-oxo-1,5-dihydro-2,4-benzodiazepin-2-yl]piperidin-1-yl]boron Traditional Name: [4-[4-(3-amidinophenyl)-3-keto-1,5-dihydro-2,4-benzodiazepin-2-yl]piperidino]boron Formula: C21H24BN5O MolecularWeight: 373.25916

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Descriptors Computed from Structure

Canonical SMILES:

[B]N1CCC(CC1)N2CC3=CC=CC=C3CN(C2=O)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

[B]N1CCC(CC1)N2CC3=CC=CC=C3CN(C2=O)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C21H24BN5O/c22-25-10-8-18(9-11-25)26-13-16-4-1-2-5-17(16)14-27(21(26)28)19-7-3-6-15(12-19)20(23)24/h1-7,12,18H,8-11,13-14H2,(H3,23,24)