1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-3-(3-methoxy-4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(4-chlorobenzyl)piperazino]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Formula: C18H22ClN5O4 MolecularWeight: 407.85138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN5O4/c1-28-18-16(24(26)27)13-23(20-18)7-6-17(25)22-10-8-21(9-11-22)12-14-2-4-15(19)5-3-14/h2-5,13H,6-12H2,1H3