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

Systemtic Name: N-[4-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]butyl]-2,2-dimethyl-chromene-3-carboxamide Openeye Name: N-[4-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]butyl]-2,2-dimethyl-chromene-3-carboxamide CAS Name: N-[4-[4-[3-(hydroxymethyl)phenyl]-1-piperazinyl]butyl]-2,2-dimethyl-1-benzopyran-3-carboxamide IUPAC Name: N-[4-[4-[3-(hydroxymethyl)phenyl]piperazin-1-yl]butyl]-2,2-dimethylchromene-3-carboxamide Traditional Name: 2,2-dimethyl-N-[4-[4-(3-methylolphenyl)piperazino]butyl]chromene-3-carboxamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC2=CC=CC=C2O1)C(=O)NCCCCN3CCN(CC3)C4=CC=CC(=C4)CO)C

Isomeric SMILES

CC1(C(=CC2=CC=CC=C2O1)C(=O)NCCCCN3CCN(CC3)C4=CC=CC(=C4)CO)C

InChI

InChI=1S/C27H35N3O3/c1-27(2)24(19-22-9-3-4-11-25(22)33-27)26(32)28-12-5-6-13-29-14-16-30(17-15-29)23-10-7-8-21(18-23)20-31/h3-4,7-11,18-19,31H,5-6,12-17,20H2,1-2H3,(H,28,32)