N-[(3-carbamimidoylphenyl)methyl]-4-(1-carbamimidoylpiperidin-4-yl)oxy-benzamide

Systemtic Name: N-[(3-carbamimidoylphenyl)methyl]-4-(1-carbamimidoylpiperidin-4-yl)oxy-benzamide Openeye Name: N-[(3-carbamimidoylphenyl)methyl]-4-[(1-carbamimidoyl-4-piperidyl)oxy]benzamide CAS Name: N-[(3-carbamimidoylphenyl)methyl]-4-[(1-carbamimidoyl-4-piperidinyl)oxy]benzamide IUPAC Name: N-[(3-carbamimidoylphenyl)methyl]-4-(1-carbamimidoylpiperidin-4-yl)oxybenzamide Traditional Name: N-(3-amidinobenzyl)-4-[(1-amidino-4-piperidyl)oxy]benzamide Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=CC(=C3)C(=N)N)C(=N)N

Isomeric SMILES

C1CN(CCC1OC2=CC=C(C=C2)C(=O)NCC3=CC=CC(=C3)C(=N)N)C(=N)N

InChI

InChI=1S/C21H26N6O2/c22-19(23)16-3-1-2-14(12-16)13-26-20(28)15-4-6-17(7-5-15)29-18-8-10-27(11-9-18)21(24)25/h1-7,12,18H,8-11,13H2,(H3,22,23)(H3,24,25)(H,26,28)