N-[3-[2-[(4-aminophenyl)carbonyl-methyl-amino]phenyl]prop-2-ynyl]-4-methyl-piperazine-1-carboxamide

Systemtic Name: N-[3-[2-[(4-aminophenyl)carbonyl-methyl-amino]phenyl]prop-2-ynyl]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[3-[2-[(4-aminobenzoyl)-methyl-amino]phenyl]prop-2-ynyl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[3-[2-[[(4-aminophenyl)-oxomethyl]-methylamino]phenyl]prop-2-ynyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: N-[3-[2-[(4-aminobenzoyl)-methylamino]phenyl]prop-2-ynyl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[3-[2-[(4-aminobenzoyl)-methyl-amino]phenyl]prop-2-ynyl]-4-methyl-piperazine-1-carboxamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NCC#CC2=CC=CC=C2N(C)C(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CN1CCN(CC1)C(=O)NCC#CC2=CC=CC=C2N(C)C(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C23H27N5O2/c1-26-14-16-28(17-15-26)23(30)25-13-5-7-18-6-3-4-8-21(18)27(2)22(29)19-9-11-20(24)12-10-19/h3-4,6,8-12H,13-17,24H2,1-2H3,(H,25,30)