4-(4-ethanoylpiperazin-1-yl)-N-[(4-methoxyphenyl)-phenyl-methyl]-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[(4-methoxyphenyl)-phenyl-methyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)-phenyl-methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(4-methoxyphenyl)-phenylmethyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)-phenylmethyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[(4-methoxyphenyl)-phenyl-methyl]-3-nitro-benzamide Formula: C27H28N4O5 MolecularWeight: 488.53502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(C3=CC=CC=C3)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O5/c1-19(32)29-14-16-30(17-15-29)24-13-10-22(18-25(24)31(34)35)27(33)28-26(20-6-4-3-5-7-20)21-8-11-23(36-2)12-9-21/h3-13,18,26H,14-17H2,1-2H3,(H,28,33)