5-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-1-[(3-methylphenyl)methyl]azepan-2-one

Systemtic Name: 5-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-1-[(3-methylphenyl)methyl]azepan-2-one Openeye Name: 5-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-1-(m-tolylmethyl)azepan-2-one CAS Name: 5-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-1-[(3-methylphenyl)methyl]-2-azepanone IUPAC Name: 5-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-1-[(3-methylphenyl)methyl]azepan-2-one Traditional Name: 5-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)-1-(3-methylbenzyl)azepan-2-one Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCC(CCC2=O)N3CCCOC4=C(C3)C=CC=C4OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC(CCC2=O)N3CCCOC4=C(C3)C=CC=C4OC

InChI

InChI=1S/C25H32N2O3/c1-19-6-3-7-20(16-19)17-27-14-12-22(10-11-24(27)28)26-13-5-15-30-25-21(18-26)8-4-9-23(25)29-2/h3-4,6-9,16,22H,5,10-15,17-18H2,1-2H3