4-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 4-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]phenyl]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 4-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]phenyl]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 4-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]phenyl]-2-methylpyrazole-3-carboxylic acid Traditional Name: 4-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]phenyl]-2-methyl-pyrazole-3-carboxylic acid Formula: C23H23N5O2 MolecularWeight: 401.46102

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(N(N=C4)C)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=CC=CC=C3C4=C(N(N=C4)C)C(=O)O

InChI

InChI=1S/C23H23N5O2/c1-3-28-13-16(18-9-8-15(22(24)25)11-20(18)28)10-14-6-4-5-7-17(14)19-12-26-27(2)21(19)23(29)30/h4-9,11-13H,3,10H2,1-2H3,(H3,24,25)(H,29,30)