4-methyl-N-[[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methyl]benzamide

Systemtic Name: 4-methyl-N-[[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]methyl]benzamide Openeye Name: N-[[4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]methyl]-4-methyl-benzamide CAS Name: 4-methyl-N-[[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-[[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]methyl]-4-methylbenzamide Traditional Name: N-[[4-[3-(benzylamino)-4-nitro-phenyl]piperazino]methyl]-4-methyl-benzamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCN2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCN2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O3/c1-20-7-9-22(10-8-20)26(32)28-19-29-13-15-30(16-14-29)23-11-12-25(31(33)34)24(17-23)27-18-21-5-3-2-4-6-21/h2-12,17,27H,13-16,18-19H2,1H3,(H,28,32)