[4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-(4-dimethylaminophenyl)methanone

Systemtic Name: [4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-(4-dimethylaminophenyl)methanone Openeye Name: [4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-(4-dimethylaminophenyl)methanone CAS Name: [4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-(4-dimethylaminophenyl)methanone IUPAC Name: [4-(1,2-benzoxazol-3-ylmethyl)-1,4-diazepan-1-yl]-(4-dimethylaminophenyl)methanone Traditional Name: (4-dimethylaminophenyl)-[4-(indoxazen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=NOC4=CC=CC=C43

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O2/c1-24(2)18-10-8-17(9-11-18)22(27)26-13-5-12-25(14-15-26)16-20-19-6-3-4-7-21(19)28-23-20/h3-4,6-11H,5,12-16H2,1-2H3