N-[1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidin-4-yl]-2-methoxy-N-(4-methylphenyl)benzamide

Systemtic Name: N-[1-[(2-chloranyl-5-nitro-phenyl)methyl]piperidin-4-yl]-2-methoxy-N-(4-methylphenyl)benzamide Openeye Name: N-[1-[(2-chloro-5-nitro-phenyl)methyl]-4-piperidyl]-2-methoxy-N-(p-tolyl)benzamide CAS Name: N-[1-[(2-chloro-5-nitrophenyl)methyl]-4-piperidinyl]-2-methoxy-N-(4-methylphenyl)benzamide IUPAC Name: N-[1-[(2-chloro-5-nitrophenyl)methyl]piperidin-4-yl]-2-methoxy-N-(4-methylphenyl)benzamide Traditional Name: N-[1-(2-chloro-5-nitro-benzyl)-4-piperidyl]-2-methoxy-N-(p-tolyl)benzamide Formula: C27H28ClN3O4 MolecularWeight: 493.98192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2CCN(CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)C4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=C(C=C1)N(C2CCN(CC2)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)C4=CC=CC=C4OC

InChI

InChI=1S/C27H28ClN3O4/c1-19-7-9-21(10-8-19)30(27(32)24-5-3-4-6-26(24)35-2)22-13-15-29(16-14-22)18-20-17-23(31(33)34)11-12-25(20)28/h3-12,17,22H,13-16,18H2,1-2H3