N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[4-(4-ethylbenzoyl)piperazino]phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C30H33N5O4 MolecularWeight: 527.61412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCCC5

InChI

InChI=1S/C30H33N5O4/c1-2-22-5-7-23(8-6-22)30(37)34-19-17-32(18-20-34)25-11-9-24(10-12-25)31-29(36)27-21-26(35(38)39)13-14-28(27)33-15-3-4-16-33/h5-14,21H,2-4,15-20H2,1H3,(H,31,36)