8-(azepan-1-ylmethyl)-3-(2,4-dichlorophenyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(2,4-dichlorophenyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 8-(azepan-1-ylmethyl)-3-(2,4-dichlorophenyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 8-(1-azepanylmethyl)-3-(2,4-dichlorophenyl)-4-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 8-(azepan-1-ylmethyl)-3-(2,4-dichlorophenyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 8-(azepan-1-ylmethyl)-3-(2,4-dichlorophenyl)-4-hydroxy-5,6,8,8a-tetrahydrochromen-7-one Formula: C22H25Cl2NO3 MolecularWeight: 422.3448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25Cl2NO3/c23-14-5-6-15(19(24)11-14)18-13-28-22-16(21(18)27)7-8-20(26)17(22)12-25-9-3-1-2-4-10-25/h5-6,11,13,17,22,27H,1-4,7-10,12H2