4-phenylbutyl N-[1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]pyrrolidin-3-yl]carbamate

Systemtic Name: 4-phenylbutyl N-[1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]pyrrolidin-3-yl]carbamate Openeye Name: 4-phenylbutyl N-[1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-pyrrolidinyl]carbamic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl N-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]pyrrolidin-3-yl]carbamic acid 4-phenylbutyl ester Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCC(C3)NC(=O)OCCCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCC(C3)NC(=O)OCCCCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-21-26(22(2)31(29-21)25-14-7-4-8-15-25)20-30-17-16-24(19-30)28-27(32)33-18-10-9-13-23-11-5-3-6-12-23/h3-8,11-12,14-15,24H,9-10,13,16-20H2,1-2H3,(H,28,32)