N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluoro-benzamide CAS Name: N-[2-[4-(3,3-dimethyl-1-oxobutyl)-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluorobenzamide Traditional Name: N-[2-[4-(3,3-dimethylbutanoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluoro-benzamide Formula: C29H38FN5O3 MolecularWeight: 523.642123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC(C)(C)CC(=O)N1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C29H38FN5O3/c1-29(2,3)20-26(36)34-13-5-12-33(16-17-34)25-9-8-22(28(38)35-14-10-31-11-15-35)19-24(25)32-27(37)21-6-4-7-23(30)18-21/h4,6-9,18-19,31H,5,10-17,20H2,1-3H3,(H,32,37)