[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [4-(cyclopropylcarbamoyl)phenyl]methyl-(2-furylmethyl)-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [4-[(cyclopropylamino)-oxomethyl]phenyl]methyl-(2-furanylmethyl)-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [4-(cyclopropylcarbamoyl)benzyl]-(2-furfuryl)-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C26H27N4O2+ MolecularWeight: 427.51818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)C[NH+](CC3=CC=CO3)CC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)C[NH+](CC3=CC=CO3)CC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H26N4O2/c31-26(28-23-12-13-23)22-10-8-20(9-11-22)16-29(19-25-7-4-14-32-25)17-21-15-27-30(18-21)24-5-2-1-3-6-24/h1-11,14-15,18,23H,12-13,16-17,19H2,(H,28,31)/p+1