8-(azepan-1-ylmethyl)-4-oxidanyl-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 8-(azepan-1-ylmethyl)-4-oxidanyl-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 8-(azepan-1-ylmethyl)-4-hydroxy-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 8-(1-azepanylmethyl)-4-hydroxy-3-phenyl-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 8-(azepan-1-ylmethyl)-4-hydroxy-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 8-(azepan-1-ylmethyl)-4-hydroxy-3-phenyl-5,6,8,8a-tetrahydrochromen-7-one Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2C3C(=C(C(=CO3)C4=CC=CC=C4)O)CCC2=O

Isomeric SMILES

C1CCCN(CC1)CC2C3C(=C(C(=CO3)C4=CC=CC=C4)O)CCC2=O

InChI

InChI=1S/C22H27NO3/c24-20-11-10-17-21(25)19(16-8-4-3-5-9-16)15-26-22(17)18(20)14-23-12-6-1-2-7-13-23/h3-5,8-9,15,18,22,25H,1-2,6-7,10-14H2