N-[N-(3-bromophenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-4-butoxy-benzamide

Systemtic Name: N-[N-(3-bromophenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-4-butoxy-benzamide Openeye Name: N-[N-(3-bromophenyl)-N'-(4-pyridylmethyl)carbamimidoyl]-4-butoxy-benzamide CAS Name: N-[(3-bromoanilino)-(pyridin-4-ylmethylimino)methyl]-4-butoxybenzamide IUPAC Name: N-[N-(3-bromophenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]-4-butoxybenzamide Traditional Name: N-[N-(3-bromophenyl)-N'-(4-pyridylmethyl)amidino]-4-butoxy-benzamide Formula: C24H25BrN4O2 MolecularWeight: 481.3849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=NCC2=CC=NC=C2)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=NCC2=CC=NC=C2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C24H25BrN4O2/c1-2-3-15-31-22-9-7-19(8-10-22)23(30)29-24(27-17-18-11-13-26-14-12-18)28-21-6-4-5-20(25)16-21/h4-14,16H,2-3,15,17H2,1H3,(H2,27,28,29,30)