N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-methyl-1H-indole-2-carboxamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-methyl-1H-indole-2-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-methyl-1H-indole-2-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-methyl-1H-indole-2-carboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-methyl-1H-indole-2-carboxamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-5-methyl-1H-indole-2-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N

InChI

InChI=1S/C21H22N4O2/c1-12-2-4-17-15(8-12)10-18(25-17)21(26)24-7-6-14-11-27-19-5-3-13(20(22)23)9-16(14)19/h2-5,8-10,14,25H,6-7,11H2,1H3,(H3,22,23)(H,24,26)