5-[3-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-5-ethyl-pyrrolidin-2-one

Systemtic Name: 5-[3-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]-5-ethyl-pyrrolidin-2-one Openeye Name: 5-[3-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-3-oxo-propyl]-5-ethyl-pyrrolidin-2-one CAS Name: 5-[3-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-3-oxopropyl]-5-ethyl-2-pyrrolidinone IUPAC Name: 5-[3-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-3-oxopropyl]-5-ethylpyrrolidin-2-one Traditional Name: 5-[3-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-3-keto-propyl]-5-ethyl-2-pyrrolidone Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(=O)N1)CCC(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC1(CCC(=O)N1)CCC(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H28N4O3/c1-2-21(10-8-18(26)23-21)11-9-19(27)24-12-5-13-25(15-14-24)20-22-16-6-3-4-7-17(16)28-20/h3-4,6-7H,2,5,8-15H2,1H3,(H,23,26)