4-methyl-N-[2-[methyl-(3-prop-1-ynylphenyl)carbamoyl]-5-nitro-phenyl]piperazine-1-carboxamide

Systemtic Name: 4-methyl-N-[2-[methyl-(3-prop-1-ynylphenyl)carbamoyl]-5-nitro-phenyl]piperazine-1-carboxamide Openeye Name: 4-methyl-N-[2-[methyl-(3-prop-1-ynylphenyl)carbamoyl]-5-nitro-phenyl]piperazine-1-carboxamide CAS Name: 4-methyl-N-[2-[(N-methyl-3-prop-1-ynylanilino)-oxomethyl]-5-nitrophenyl]-1-piperazinecarboxamide IUPAC Name: 4-methyl-N-[2-[methyl-(3-prop-1-ynylphenyl)carbamoyl]-5-nitrophenyl]piperazine-1-carboxamide Traditional Name: 4-methyl-N-[2-[methyl-(3-prop-1-ynylphenyl)carbamoyl]-5-nitro-phenyl]piperazine-1-carboxamide Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC(=CC=C1)N(C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)N3CCN(CC3)C

Isomeric SMILES

CC#CC1=CC(=CC=C1)N(C)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H25N5O4/c1-4-6-17-7-5-8-18(15-17)26(3)22(29)20-10-9-19(28(31)32)16-21(20)24-23(30)27-13-11-25(2)12-14-27/h5,7-10,15-16H,11-14H2,1-3H3,(H,24,30)