1-(4-bromophenyl)carbonyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]piperidine-4-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]piperidine-4-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-1-(4-bromobenzoyl)isonipecotamide Formula: C23H25BrN4O3 MolecularWeight: 485.3736

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H25BrN4O3/c1-2-13-25-23(31)27-20-9-7-19(8-10-20)26-21(29)16-11-14-28(15-12-16)22(30)17-3-5-18(24)6-4-17/h2-10,16H,1,11-15H2,(H,26,29)(H2,25,27,31)