2-[(3,5-dimethylphenyl)-piperazin-1-yl-methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[(3,5-dimethylphenyl)-piperazin-1-yl-methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[(3,5-dimethylphenyl)-piperazin-1-yl-methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[(3,5-dimethylphenyl)-(1-piperazinyl)methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[(3,5-dimethylphenyl)-piperazin-1-ylmethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[(3,5-dimethylphenyl)-piperazino-methyl]-4H-1,4-benzoxazin-3-one Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2C(=O)NC3=CC=CC=C3O2)N4CCNCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2C(=O)NC3=CC=CC=C3O2)N4CCNCC4)C

InChI

InChI=1S/C21H25N3O2/c1-14-11-15(2)13-16(12-14)19(24-9-7-22-8-10-24)20-21(25)23-17-5-3-4-6-18(17)26-20/h3-6,11-13,19-20,22H,7-10H2,1-2H3,(H,23,25)