5-(3-methoxyphenyl)-1-methyl-8-pyrimidin-5-yl-1,3,4,6-tetrahydro-2,5-benzoxazocine

Systemtic Name: 5-(3-methoxyphenyl)-1-methyl-8-pyrimidin-5-yl-1,3,4,6-tetrahydro-2,5-benzoxazocine Openeye Name: 5-(3-methoxyphenyl)-1-methyl-8-pyrimidin-5-yl-1,3,4,6-tetrahydro-2,5-benzoxazocine CAS Name: 5-(3-methoxyphenyl)-1-methyl-8-(5-pyrimidinyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine IUPAC Name: 5-(3-methoxyphenyl)-1-methyl-8-pyrimidin-5-yl-1,3,4,6-tetrahydro-2,5-benzoxazocine Traditional Name: 5-(3-methoxyphenyl)-1-methyl-8-(5-pyrimidyl)-1,3,4,6-tetrahydro-2,5-benzoxazocine Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN(CCO1)C3=CC(=CC=C3)OC)C=C(C=C2)C4=CN=CN=C4

Isomeric SMILES

CC1C2=C(CN(CCO1)C3=CC(=CC=C3)OC)C=C(C=C2)C4=CN=CN=C4

InChI

InChI=1S/C22H23N3O2/c1-16-22-7-6-17(19-12-23-15-24-13-19)10-18(22)14-25(8-9-27-16)20-4-3-5-21(11-20)26-2/h3-7,10-13,15-16H,8-9,14H2,1-2H3