1-[4-azanyl-5-chloranyl-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(azepan-1-yl)pentan-1-one

Systemtic Name: 1-[4-azanyl-5-chloranyl-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(azepan-1-yl)pentan-1-one Openeye Name: 1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(azepan-1-yl)pentan-1-one CAS Name: 1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(1-azepanyl)-1-pentanone IUPAC Name: 1-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-(azepan-1-yl)pentan-1-one Traditional Name: 1-[4-amino-5-chloro-2-(3,5-dimethoxybenzyl)oxy-phenyl]-5-(azepan-1-yl)pentan-1-one Formula: C26H35ClN2O4 MolecularWeight: 475.0201

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)COC2=CC(=C(C=C2C(=O)CCCCN3CCCCCC3)Cl)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)COC2=CC(=C(C=C2C(=O)CCCCN3CCCCCC3)Cl)N)OC

InChI

InChI=1S/C26H35ClN2O4/c1-31-20-13-19(14-21(15-20)32-2)18-33-26-17-24(28)23(27)16-22(26)25(30)9-5-8-12-29-10-6-3-4-7-11-29/h13-17H,3-12,18,28H2,1-2H3