4-methyl-5-[2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Systemtic Name: 4-methyl-5-[2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanoyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Openeye Name: 4-methyl-5-[2-[tetrahydrofuran-2-ylmethyl(2-thienylmethyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one CAS Name: 4-methyl-5-[1-oxo-2-[2-oxolanylmethyl(thiophen-2-ylmethyl)amino]ethyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one IUPAC Name: 4-methyl-5-[2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Traditional Name: 4-methyl-5-[2-[tetrahydrofurfuryl(2-thenyl)amino]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(CC3CCCO3)CC4=CC=CS4

Isomeric SMILES

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN(CC3CCCO3)CC4=CC=CS4

InChI

InChI=1S/C22H27N3O3S/c1-16-12-21(26)23-19-8-2-3-9-20(19)25(16)22(27)15-24(13-17-6-4-10-28-17)14-18-7-5-11-29-18/h2-3,5,7-9,11,16-17H,4,6,10,12-15H2,1H3,(H,23,26)