N-(2-bromophenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enyl-pentanoyl-amino]ethyl]piperazine-1-carboxamide

Systemtic Name: N-(2-bromophenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enyl-pentanoyl-amino]ethyl]piperazine-1-carboxamide Openeye Name: N-(2-bromophenyl)-4-[2-[3-(2-methoxyphenyl)allyl-pentanoyl-amino]ethyl]piperazine-1-carboxamide CAS Name: N-(2-bromophenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enyl-(1-oxopentyl)amino]ethyl]-1-piperazinecarboxamide IUPAC Name: N-(2-bromophenyl)-4-[2-[3-(2-methoxyphenyl)prop-2-enyl-pentanoylamino]ethyl]piperazine-1-carboxamide Traditional Name: N-(2-bromophenyl)-4-[2-[3-(2-methoxyphenyl)allyl-valeryl-amino]ethyl]piperazine-1-carboxamide Formula: C28H37BrN4O3 MolecularWeight: 557.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CCN1CCN(CC1)C(=O)NC2=CC=CC=C2Br)CC=CC3=CC=CC=C3OC

Isomeric SMILES

CCCCC(=O)N(CCN1CCN(CC1)C(=O)NC2=CC=CC=C2Br)CC=CC3=CC=CC=C3OC

InChI

InChI=1S/C28H37BrN4O3/c1-3-4-15-27(34)32(16-9-11-23-10-5-8-14-26(23)36-2)20-17-31-18-21-33(22-19-31)28(35)30-25-13-7-6-12-24(25)29/h5-14H,3-4,15-22H2,1-2H3,(H,30,35)