N-butyl-2-methyl-4-[2-[(4-nitrophenyl)carbamoylamino]-3-phenyl-propanoyl]piperazine-1-carboxamide

Systemtic Name: N-butyl-2-methyl-4-[2-[(4-nitrophenyl)carbamoylamino]-3-phenyl-propanoyl]piperazine-1-carboxamide Openeye Name: N-butyl-2-methyl-4-[2-[(4-nitrophenyl)carbamoylamino]-3-phenyl-propanoyl]piperazine-1-carboxamide CAS Name: N-butyl-2-methyl-4-[2-[[(4-nitroanilino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-2-methyl-4-[2-[(4-nitrophenyl)carbamoylamino]-3-phenylpropanoyl]piperazine-1-carboxamide Traditional Name: N-butyl-2-methyl-4-[2-[(4-nitrophenyl)carbamoylamino]-3-phenyl-propanoyl]piperazine-1-carboxamide Formula: C26H34N6O5 MolecularWeight: 510.58536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1C)C(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1C)C(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H34N6O5/c1-3-4-14-27-26(35)31-16-15-30(18-19(31)2)24(33)23(17-20-8-6-5-7-9-20)29-25(34)28-21-10-12-22(13-11-21)32(36)37/h5-13,19,23H,3-4,14-18H2,1-2H3,(H,27,35)(H2,28,29,34)