3-[[1-[(4-carbamimidoylphenyl)methyl]-4-morpholin-4-ylcarbonyl-pyrrol-3-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[1-[(4-carbamimidoylphenyl)methyl]-4-morpholin-4-ylcarbonyl-pyrrol-3-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[1-[(4-carbamimidoylphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrol-3-yl]methyl]benzamidine CAS Name: 3-[[1-[(4-carbamimidoylphenyl)methyl]-4-[4-morpholinyl(oxo)methyl]-3-pyrrolyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[1-[(4-carbamimidoylphenyl)methyl]-4-(morpholine-4-carbonyl)pyrrol-3-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[1-(4-amidinobenzyl)-4-(morpholine-4-carbonyl)pyrrol-3-yl]methyl]benzamidine Formula: C25H28N6O2 MolecularWeight: 444.52882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CN(C=C2CC3=CC=CC(=C3)C(=N)N)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1COCCN1C(=O)C2=CN(C=C2CC3=CC=CC(=C3)C(=N)N)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H28N6O2/c26-23(27)19-6-4-17(5-7-19)14-30-15-21(13-18-2-1-3-20(12-18)24(28)29)22(16-30)25(32)31-8-10-33-11-9-31/h1-7,12,15-16H,8-11,13-14H2,(H3,26,27)(H3,28,29)