N,N-dimethyl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[4-[(isopropylcarbamoylamino)methyl]benzoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: N,N-dimethyl-2-[4-[oxo-[4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl]methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N,N-dimethyl-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: 2-[4-[4-[(isopropylcarbamoylamino)methyl]benzoyl]-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)N(C)C

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)N(C)C

InChI

InChI=1S/C21H33N5O3/c1-16(2)23-21(29)22-14-17-6-8-18(9-7-17)20(28)26-11-5-10-25(12-13-26)15-19(27)24(3)4/h6-9,16H,5,10-15H2,1-4H3,(H2,22,23,29)