1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-2-phenoxy-propan-1-one

Systemtic Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-2-phenoxy-propan-1-one Openeye Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-2-phenoxy-propan-1-one CAS Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-2-phenoxy-1-propanone IUPAC Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-2-phenoxypropan-1-one Traditional Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-2-phenoxy-propan-1-one Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(C2=NC3=CC=CC=C3N=C21)C)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCCN(C2=NC3=CC=CC=C3N=C21)C)OC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c1-15(27-16-9-4-3-5-10-16)21(26)25-14-8-13-24(2)19-20(25)23-18-12-7-6-11-17(18)22-19/h3-7,9-12,15H,8,13-14H2,1-2H3