N-[5-bromanyl-2-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[5-bromanyl-2-[4-(phenylmethyl)piperazin-1-yl]phenyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-5-bromo-phenyl]-2-oxo-chromene-3-carboxamide CAS Name: N-[5-bromo-2-[4-(phenylmethyl)-1-piperazinyl]phenyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-5-bromophenyl]-2-oxochromene-3-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)-5-bromo-phenyl]-2-keto-chromene-3-carboxamide Formula: C27H24BrN3O3 MolecularWeight: 518.40176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)Br)NC(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)Br)NC(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C27H24BrN3O3/c28-21-10-11-24(31-14-12-30(13-15-31)18-19-6-2-1-3-7-19)23(17-21)29-26(32)22-16-20-8-4-5-9-25(20)34-27(22)33/h1-11,16-17H,12-15,18H2,(H,29,32)