N-[(4-carbamimidoylcyclohexyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylcyclohexyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxamide Openeye Name: N-[(4-carbamimidoylcyclohexyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methyl-indole-2-carboxamide CAS Name: N-[(4-carbamimidoylcyclohexyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methyl-2-indolecarboxamide IUPAC Name: N-[(4-carbamimidoylcyclohexyl)methyl]-1-[(3-cyanophenyl)methyl]-4-methylindole-2-carboxamide Traditional Name: N-[(4-amidinocyclohexyl)methyl]-1-(3-cyanobenzyl)-4-methyl-indole-2-carboxamide Formula: C26H29N5O MolecularWeight: 427.54136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C#N)C(=O)NCC4CCC(CC4)C(=N)N

Isomeric SMILES

CC1=C2C=C(N(C2=CC=C1)CC3=CC=CC(=C3)C#N)C(=O)NCC4CCC(CC4)C(=N)N

InChI

InChI=1S/C26H29N5O/c1-17-4-2-7-23-22(17)13-24(31(23)16-20-6-3-5-19(12-20)14-27)26(32)30-15-18-8-10-21(11-9-18)25(28)29/h2-7,12-13,18,21H,8-11,15-16H2,1H3,(H3,28,29)(H,30,32)