N-(3-chlorophenyl)-2-methyl-4-[3-methyl-2-[(4-nitrophenyl)carbonylamino]pentanoyl]piperazine-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-2-methyl-4-[3-methyl-2-[(4-nitrophenyl)carbonylamino]pentanoyl]piperazine-1-carboxamide Openeye Name: N-(3-chlorophenyl)-2-methyl-4-[3-methyl-2-[(4-nitrobenzoyl)amino]pentanoyl]piperazine-1-carboxamide CAS Name: N-(3-chlorophenyl)-2-methyl-4-[3-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopentyl]-1-piperazinecarboxamide IUPAC Name: N-(3-chlorophenyl)-2-methyl-4-[3-methyl-2-[(4-nitrobenzoyl)amino]pentanoyl]piperazine-1-carboxamide Traditional Name: N-(3-chlorophenyl)-2-methyl-4-[3-methyl-2-[(4-nitrobenzoyl)amino]pentanoyl]piperazine-1-carboxamide Formula: C25H30ClN5O5 MolecularWeight: 515.9892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(C(C1)C)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(C(C1)C)C(=O)NC2=CC(=CC=C2)Cl)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H30ClN5O5/c1-4-16(2)22(28-23(32)18-8-10-21(11-9-18)31(35)36)24(33)29-12-13-30(17(3)15-29)25(34)27-20-7-5-6-19(26)14-20/h5-11,14,16-17,22H,4,12-13,15H2,1-3H3,(H,27,34)(H,28,32)