[4-[[4-(2-methylphenyl)carbonylmorpholin-2-yl]methyl]-1,4-diazepan-1-yl]-phenyl-methanone

Systemtic Name: [4-[[4-(2-methylphenyl)carbonylmorpholin-2-yl]methyl]-1,4-diazepan-1-yl]-phenyl-methanone Openeye Name: [4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]-phenyl-methanone CAS Name: [4-[[4-[(2-methylphenyl)-oxomethyl]-2-morpholinyl]methyl]-1,4-diazepan-1-yl]-phenylmethanone IUPAC Name: [4-[[4-(2-methylbenzoyl)morpholin-2-yl]methyl]-1,4-diazepan-1-yl]-phenylmethanone Traditional Name: [4-[(4-o-toluoylmorpholin-2-yl)methyl]-1,4-diazepan-1-yl]-phenyl-methanone Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCOC(C2)CN3CCCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCOC(C2)CN3CCCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-20-8-5-6-11-23(20)25(30)28-16-17-31-22(19-28)18-26-12-7-13-27(15-14-26)24(29)21-9-3-2-4-10-21/h2-6,8-11,22H,7,12-19H2,1H3