N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)NCCC2COC3=C2C=C(C=C3)C(=N)N)C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O2/c1-13-19(26-27(25-13)16-5-3-2-4-6-16)21(28)24-10-9-15-12-29-18-8-7-14(20(22)23)11-17(15)18/h2-8,11,15H,9-10,12H2,1H3,(H3,22,23)(H,24,28)