[4-(2-azanyl-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone

Systemtic Name: [4-(2-azanyl-4-piperazin-1-ylcarbonyl-phenyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone Openeye Name: [4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone CAS Name: [4-[2-amino-4-[oxo(1-piperazinyl)methyl]phenyl]-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone IUPAC Name: [4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone Traditional Name: [4-[2-amino-4-(piperazine-1-carbonyl)phenyl]-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone Formula: C23H28FN5O2 MolecularWeight: 425.499123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)F)C3=C(C=C(C=C3)C(=O)N4CCNCC4)N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)F)C3=C(C=C(C=C3)C(=O)N4CCNCC4)N

InChI

InChI=1S/C23H28FN5O2/c24-19-4-1-3-17(15-19)22(30)28-10-2-9-27(13-14-28)21-6-5-18(16-20(21)25)23(31)29-11-7-26-8-12-29/h1,3-6,15-16,26H,2,7-14,25H2