N-carbamimidoyl-N-methyl-7-[3-(piperidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide

Systemtic Name: N-carbamimidoyl-N-methyl-7-[3-(piperidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide Openeye Name: N-carbamimidoyl-N-methyl-7-[3-(1-piperidylmethyl)phenoxy]-1H-indole-2-carboxamide CAS Name: N-carbamimidoyl-N-methyl-7-[3-(1-piperidinylmethyl)phenoxy]-1H-indole-2-carboxamide IUPAC Name: N-carbamimidoyl-N-methyl-7-[3-(piperidin-1-ylmethyl)phenoxy]-1H-indole-2-carboxamide Traditional Name: N-amidino-N-methyl-7-[3-(piperidinomethyl)phenoxy]-1H-indole-2-carboxamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC2=C(N1)C(=CC=C2)OC3=CC=CC(=C3)CN4CCCCC4)C(=N)N

Isomeric SMILES

CN(C(=O)C1=CC2=C(N1)C(=CC=C2)OC3=CC=CC(=C3)CN4CCCCC4)C(=N)N

InChI

InChI=1S/C23H27N5O2/c1-27(23(24)25)22(29)19-14-17-8-6-10-20(21(17)26-19)30-18-9-5-7-16(13-18)15-28-11-3-2-4-12-28/h5-10,13-14,26H,2-4,11-12,15H2,1H3,(H3,24,25)