N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-2-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-chloro-2-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-chloro-2-(4-p-toluoylpiperazino)phenyl]-4-morpholino-3-nitro-benzamide Formula: C29H30ClN5O5 MolecularWeight: 564.032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=CC=C3Cl)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C29H30ClN5O5/c1-20-5-7-21(8-6-20)29(37)34-13-11-33(12-14-34)27-23(30)3-2-4-24(27)31-28(36)22-9-10-25(26(19-22)35(38)39)32-15-17-40-18-16-32/h2-10,19H,11-18H2,1H3,(H,31,36)