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

Systemtic Name: 4-(4-nitrophenyl)butyl N-[1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]pyrrolidin-3-yl]carbamate Openeye Name: 4-(4-nitrophenyl)butyl 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-(4-nitrophenyl)butyl ester IUPAC Name: 4-(4-nitrophenyl)butyl 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-(4-nitrophenyl)butyl ester Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCC(C3)NC(=O)OCCCCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCC(C3)NC(=O)OCCCCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H33N5O4/c1-20-26(21(2)31(29-20)24-9-4-3-5-10-24)19-30-16-15-23(18-30)28-27(33)36-17-7-6-8-22-11-13-25(14-12-22)32(34)35/h3-5,9-14,23H,6-8,15-19H2,1-2H3,(H,28,33)