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

Systemtic Name: N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide Openeye Name: N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide CAS Name: N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]-2-indolecarboxamide IUPAC Name: N-[(3-carbamimidoylphenyl)methyl]-1-[(3-cyanophenyl)methyl]indole-2-carboxamide Traditional Name: N-(3-amidinobenzyl)-1-(3-cyanobenzyl)indole-2-carboxamide Formula: C25H21N5O MolecularWeight: 407.46714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C#N)C(=O)NCC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2CC3=CC=CC(=C3)C#N)C(=O)NCC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H21N5O/c26-14-17-5-3-7-19(11-17)16-30-22-10-2-1-8-20(22)13-23(30)25(31)29-15-18-6-4-9-21(12-18)24(27)28/h1-13H,15-16H2,(H3,27,28)(H,29,31)