2-[4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-oxomethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[1-(1,3-benzoxazol-2-yl)isonipecotoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C22H31N5O3 MolecularWeight: 413.51324

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H31N5O3/c1-24(2)20(28)16-25-10-5-11-26(15-14-25)21(29)17-8-12-27(13-9-17)22-23-18-6-3-4-7-19(18)30-22/h3-4,6-7,17H,5,8-16H2,1-2H3