1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-methoxy-4-nitro-phenyl)urea

Systemtic Name: 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-methoxy-4-nitro-phenyl)urea Openeye Name: 1-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methyl]-3-(2-methoxy-4-nitro-phenyl)urea CAS Name: 1-[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]-3-(2-methoxy-4-nitrophenyl)urea IUPAC Name: 1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(2-methoxy-4-nitrophenyl)urea Traditional Name: 1-[[1-(4-chlorobenzyl)-4-piperidyl]methyl]-3-(2-methoxy-4-nitro-phenyl)urea Formula: C21H25ClN4O4 MolecularWeight: 432.9006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O4/c1-30-20-12-18(26(28)29)6-7-19(20)24-21(27)23-13-15-8-10-25(11-9-15)14-16-2-4-17(22)5-3-16/h2-7,12,15H,8-11,13-14H2,1H3,(H2,23,24,27)