N-[(4-carbamimidoylphenyl)methyl]-2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2,5-dimethyl-1-(4-pyridylmethyl)pyrrole-3-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2,5-dimethyl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxamide Traditional Name: N-(4-amidinobenzyl)-2,5-dimethyl-1-(4-pyridylmethyl)pyrrole-3-carboxamide Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=NC=C2)C)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=NC=C2)C)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H23N5O/c1-14-11-19(15(2)26(14)13-17-7-9-24-10-8-17)21(27)25-12-16-3-5-18(6-4-16)20(22)23/h3-11H,12-13H2,1-2H3,(H3,22,23)(H,25,27)