N-tert-butyl-4-[4-[2-[(4-methylphenyl)carbonyl-prop-2-enyl-amino]ethanoylamino]phenyl]piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[4-[2-[(4-methylphenyl)carbonyl-prop-2-enyl-amino]ethanoylamino]phenyl]piperazine-1-carboxamide Openeye Name: 4-[4-[[2-[allyl-(4-methylbenzoyl)amino]acetyl]amino]phenyl]-N-tert-butyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[4-[[2-[[(4-methylphenyl)-oxomethyl]-prop-2-enylamino]-1-oxoethyl]amino]phenyl]-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[4-[[2-[(4-methylbenzoyl)-prop-2-enylamino]acetyl]amino]phenyl]piperazine-1-carboxamide Traditional Name: 4-[4-[[2-[allyl(p-toluoyl)amino]acetyl]amino]phenyl]-N-tert-butyl-piperazine-1-carboxamide Formula: C28H37N5O3 MolecularWeight: 491.62508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC=C)CC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)NC(C)(C)C

InChI

InChI=1S/C28H37N5O3/c1-6-15-33(26(35)22-9-7-21(2)8-10-22)20-25(34)29-23-11-13-24(14-12-23)31-16-18-32(19-17-31)27(36)30-28(3,4)5/h6-14H,1,15-20H2,2-5H3,(H,29,34)(H,30,36)