N-[4-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butyl]furan-2-carboxamide

Systemtic Name: N-[4-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxidanylidene-butyl]furan-2-carboxamide Openeye Name: N-[4-[[1-[(2-chlorophenyl)methyl]-3-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-oxo-butyl]furan-2-carboxamide CAS Name: N-[4-[[1-[(2-chlorophenyl)methyl]-3-phenyl-4-pyrazolyl]methyl-methylamino]-4-oxobutyl]-2-furancarboxamide IUPAC Name: N-[4-[[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]methyl-methylamino]-4-oxobutyl]furan-2-carboxamide Traditional Name: N-[4-[[1-(2-chlorobenzyl)-3-phenyl-pyrazol-4-yl]methyl-methyl-amino]-4-keto-butyl]-2-furamide Formula: C27H27ClN4O3 MolecularWeight: 490.98128

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3Cl)C(=O)CCCNC(=O)C4=CC=CO4

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3Cl)C(=O)CCCNC(=O)C4=CC=CO4

InChI

InChI=1S/C27H27ClN4O3/c1-31(25(33)14-7-15-29-27(34)24-13-8-16-35-24)17-22-19-32(18-21-11-5-6-12-23(21)28)30-26(22)20-9-3-2-4-10-20/h2-6,8-13,16,19H,7,14-15,17-18H2,1H3,(H,29,34)