N-[4-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]butyl]-2H-chromene-3-carboxamide

Systemtic Name: N-[4-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]butyl]-2H-chromene-3-carboxamide Openeye Name: N-[4-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]butyl]-2H-chromene-3-carboxamide CAS Name: N-[4-[4-[3-(hydroxymethyl)phenyl]-1-piperazinyl]butyl]-2H-1-benzopyran-3-carboxamide IUPAC Name: N-[4-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]butyl]-2H-chromene-3-carboxamide Traditional Name: N-[4-[4-(3-methylolphenyl)piperazino]butyl]-2H-chromene-3-carboxamide Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3OC2)C4=CC=CC(=C4)CO

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3OC2)C4=CC=CC(=C4)CO

InChI

InChI=1S/C25H31N3O3/c29-18-20-6-5-8-23(16-20)28-14-12-27(13-15-28)11-4-3-10-26-25(30)22-17-21-7-1-2-9-24(21)31-19-22/h1-2,5-9,16-17,29H,3-4,10-15,18-19H2,(H,26,30)