N-carbamimidoyl-N-[4-(diethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)indole-2-carboxamide

Systemtic Name: N-carbamimidoyl-N-[4-(diethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Openeye Name: N-carbamimidoyl-N-[4-(diethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)indole-2-carboxamide CAS Name: N-carbamimidoyl-N-[4-(diethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)-2-indolecarboxamide IUPAC Name: N-carbamimidoyl-N-[4-(diethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Traditional Name: N-amidino-N-[4-(diethylaminomethyl)phenoxy]-1-methyl-4-(trifluoromethyl)indole-2-carboxamide Formula: C23H26F3N5O2 MolecularWeight: 461.48005

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)ON(C(=O)C2=CC3=C(C=CC=C3N2C)C(F)(F)F)C(=N)N

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)ON(C(=O)C2=CC3=C(C=CC=C3N2C)C(F)(F)F)C(=N)N

InChI

InChI=1S/C23H26F3N5O2/c1-4-30(5-2)14-15-9-11-16(12-10-15)33-31(22(27)28)21(32)20-13-17-18(23(24,25)26)7-6-8-19(17)29(20)3/h6-13H,4-5,14H2,1-3H3,(H3,27,28)