N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-[1-(phenylmethyl)pyrazol-3-yl]ethanamide hydrochloride

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-[1-(phenylmethyl)pyrazol-3-yl]ethanamide hydrochloride Openeye Name: 2-(1-benzylpyrazol-3-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-acetamide hydrochloride CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-2-[1-(phenylmethyl)-3-pyrazolyl]acetamide hydrochloride IUPAC Name: 2-(1-benzylpyrazol-3-yl)-N-[(4-carbamimidoylphenyl)methyl]-2-methoxyacetamide hydrochloride Traditional Name: N-(4-amidinobenzyl)-2-(1-benzylpyrazol-3-yl)-2-methoxy-acetamide hydrochloride Formula: C21H24ClN5O2 MolecularWeight: 413.90056

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=NN(C=C1)CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(C1=NN(C=C1)CC2=CC=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H23N5O2.ClH/c1-28-19(18-11-12-26(25-18)14-16-5-3-2-4-6-16)21(27)24-13-15-7-9-17(10-8-15)20(22)23;/h2-12,19H,13-14H2,1H3,(H3,22,23)(H,24,27);1H