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

Systemtic Name: N-[5-azanyl-2-[methyl-(3-prop-1-ynylphenyl)carbamoyl]phenyl]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[5-amino-2-[methyl-(3-prop-1-ynylphenyl)carbamoyl]phenyl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[5-amino-2-[(N-methyl-3-prop-1-ynylanilino)-oxomethyl]phenyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: N-[5-amino-2-[methyl-(3-prop-1-ynylphenyl)carbamoyl]phenyl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[5-amino-2-[methyl-(3-prop-1-ynylphenyl)carbamoyl]phenyl]-4-methyl-piperazine-1-carboxamide Formula: C23H27N5O2 MolecularWeight: 405.49278

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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)NC(=O)N3CCN(CC3)C

Isomeric SMILES

CC#CC1=CC(=CC=C1)N(C)C(=O)C2=C(C=C(C=C2)N)NC(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H27N5O2/c1-4-6-17-7-5-8-19(15-17)27(3)22(29)20-10-9-18(24)16-21(20)25-23(30)28-13-11-26(2)12-14-28/h5,7-10,15-16H,11-14,24H2,1-3H3,(H,25,30)