6-bromanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-2H-chromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-2H-chromene-3-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-chromene-3-carboxamide CAS Name: 6-bromo-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-bromo-2H-chromene-3-carboxamide Traditional Name: N-[2-(4-benzylpiperazino)ethyl]-6-bromo-2H-chromene-3-carboxamide Formula: C23H26BrN3O2 MolecularWeight: 456.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=C(C=CC(=C3)Br)OC2)CC4=CC=CC=C4

InChI

InChI=1S/C23H26BrN3O2/c24-21-6-7-22-19(15-21)14-20(17-29-22)23(28)25-8-9-26-10-12-27(13-11-26)16-18-4-2-1-3-5-18/h1-7,14-15H,8-13,16-17H2,(H,25,28)